6-amino-N-(4-cyanophenyl)-2-methylheptanamide

C15H21N3O — CID 65293297

IUPAC6-amino-N-(4-cyanophenyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O/c1-11(4-3-5-12(2)17)15(19)18-14-8-6-13(10-16)7-9-14/h6-9,11-12H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyJEFZMHXQICPHKJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.65
Rot. Bonds6

About 6-amino-N-(4-cyanophenyl)-2-methylheptanamide

6-amino-N-(4-cyanophenyl)-2-methylheptanamide (PubChem CID 65293297) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-amino-N-(4-cyanophenyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(4-cyanophenyl)-2-methylheptanamide
PubChem CID65293297
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-amino-N-(4-cyanophenyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O/c1-11(4-3-5-12(2)17)15(19)18-14-8-6-13(10-16)7-9-14/h6-9,11-12H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyJEFZMHXQICPHKJ-UHFFFAOYSA-N
XLogP2.65
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(3-cyanophenyl)-2-methylheptanamide
CID 65292842
6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
CID 65292589
6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide
CID 65291128
N-(4-cyanophenyl)-2-sulfanylpropanamide
CID 107021186
3-(3-aminobutylsulfanyl)-N-(4-cyanophenyl)propanamide
CID 66232376
5-[(6-amino-2-methylheptanoyl)amino]-2-methylbenzoic acid
CID 65291238
6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide
CID 107798147
6-amino-N-(3-fluorophenyl)-2-methylheptanamide
CID 65292739
6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide
CID 65290661
5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide
CID 65290752
3-amino-4-(4-cyanoanilino)-4-oxobutanoic acid
CID 14479137
6-amino-N-(3-ethylphenyl)-2-methylheptanamide
CID 65293048

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-cyanophenyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(4-cyanophenyl)-2-methylheptanamide (CID 65293297) is 6-amino-N-(4-cyanophenyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(4-cyanophenyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(4-cyanophenyl)-2-methylheptanamide is CC(N)CCCC(C)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 6-amino-N-(4-cyanophenyl)-2-methylheptanamide?
The InChIKey is JEFZMHXQICPHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(4-3-5-12(2)17)15(19)18-14-8-6-13(10-16)7-9-14/h6-9,11-12H,3-5,17H2,1-2H3,(H,18,19).
What are the key properties of 6-amino-N-(4-cyanophenyl)-2-methylheptanamide?
6-amino-N-(4-cyanophenyl)-2-methylheptanamide has a molecular weight of 259.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-cyanophenyl)-2-methylheptanamide is sourced from PubChem (CID 65293297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).