3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide

C16H23N3O2 — CID 107467787

IUPAC3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide
SMILESCOc1cccc(C#N)c1NC(=O)CC(CN)CC(C)C
InChIInChI=1S/C16H23N3O2/c1-11(2)7-12(9-17)8-15(20)19-16-13(10-18)5-4-6-14(16)21-3/h4-6,11-12H,7-9,17H2,1-3H3,(H,19,20)
InChIKeyUTXQLGQXVSBNQR-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.52
Rot. Bonds7

About 3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide

3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide (PubChem CID 107467787) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide
PubChem CID107467787
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide
SMILESCOc1cccc(C#N)c1NC(=O)CC(CN)CC(C)C
InChIInChI=1S/C16H23N3O2/c1-11(2)7-12(9-17)8-15(20)19-16-13(10-18)5-4-6-14(16)21-3/h4-6,11-12H,7-9,17H2,1-3H3,(H,19,20)
InChIKeyUTXQLGQXVSBNQR-UHFFFAOYSA-N
XLogP2.52
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide
CID 106114168
2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107467856
(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide
CID 107467870
(3S)-3-(aminomethyl)-N-(2-cyano-4-fluorophenyl)-5-methylhexanamide
CID 82015909
methyl 3-amino-2-(2-cyano-6-methoxyanilino)propanoate
CID 114242386
3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide
CID 114839771
N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide
CID 107467897
N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 107467761
2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107468148
2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 107467410
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate
CID 107467674

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide?
The IUPAC name of 3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide (CID 107467787) is 3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide is COc1cccc(C#N)c1NC(=O)CC(CN)CC(C)C.
What is the InChIKey of 3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide?
The InChIKey is UTXQLGQXVSBNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)7-12(9-17)8-15(20)19-16-13(10-18)5-4-6-14(16)21-3/h4-6,11-12H,7-9,17H2,1-3H3,(H,19,20).
What are the key properties of 3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide?
3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide has a molecular weight of 289.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide is sourced from PubChem (CID 107467787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).