AEW

1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one

Created:2011-07-13
Last modified:  2014-09-05

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count49
Aromatic Bond Count6
2D diagram of AEW

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Chemical Component Summary

Name1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one
Systematic Name (OpenEye OEToolkits)1-[(3-azanyl-2-methyl-phenyl)methyl]-4-hexyl-pyridin-2-one
FormulaC19 H26 N2 O
Molecular Weight298.423
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C=C(C=CN1Cc2c(c(N)ccc2)C)CCCCCC
SMILESCACTVS3.385CCCCCCC1=CC(=O)N(Cc2cccc(N)c2C)C=C1
SMILESOpenEye OEToolkits1.9.2CCCCCCC1=CC(=O)N(C=C1)Cc2cccc(c2C)N
Canonical SMILESCACTVS3.385 CCCCCCC1=CC(=O)N(Cc2cccc(N)c2C)C=C1
Canonical SMILESOpenEye OEToolkits1.9.2 CCCCCCC1=CC(=O)N(C=C1)Cc2cccc(c2C)N
InChIInChI1.03 InChI=1S/C19H26N2O/c1-3-4-5-6-8-16-11-12-21(19(22)13-16)14-17-9-7-10-18(20)15(17)2/h7,9-13H,3-6,8,14,20H2,1-2H3
InChIKeyInChI1.03 PJADLCYVDLAZCT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 54765334