6-amino-N-(3-cyanophenyl)-2-methylheptanamide

C15H21N3O — CID 65292842

IUPAC6-amino-N-(3-cyanophenyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-11(5-3-6-12(2)17)15(19)18-14-8-4-7-13(9-14)10-16/h4,7-9,11-12H,3,5-6,17H2,1-2H3,(H,18,19)
InChIKeyYOWRZIDMOHBDJQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.65
Rot. Bonds6

About 6-amino-N-(3-cyanophenyl)-2-methylheptanamide

6-amino-N-(3-cyanophenyl)-2-methylheptanamide (PubChem CID 65292842) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-amino-N-(3-cyanophenyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(3-cyanophenyl)-2-methylheptanamide
PubChem CID65292842
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-amino-N-(3-cyanophenyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-11(5-3-6-12(2)17)15(19)18-14-8-4-7-13(9-14)10-16/h4,7-9,11-12H,3,5-6,17H2,1-2H3,(H,18,19)
InChIKeyYOWRZIDMOHBDJQ-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-(4-cyanophenyl)-2-methylheptanamide
CID 65293297
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
6-amino-N-(3-fluorophenyl)-2-methylheptanamide
CID 65292739
6-amino-N-(3-ethylphenyl)-2-methylheptanamide
CID 65293048
N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853412
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
CID 65292589
6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide
CID 65291128
2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
5-[(6-amino-2-methylheptanoyl)amino]-2-methylbenzoic acid
CID 65291238
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-methylbutanamide
CID 55939858

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-cyanophenyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(3-cyanophenyl)-2-methylheptanamide (CID 65292842) is 6-amino-N-(3-cyanophenyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(3-cyanophenyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(3-cyanophenyl)-2-methylheptanamide is CC(N)CCCC(C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 6-amino-N-(3-cyanophenyl)-2-methylheptanamide?
The InChIKey is YOWRZIDMOHBDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(5-3-6-12(2)17)15(19)18-14-8-4-7-13(9-14)10-16/h4,7-9,11-12H,3,5-6,17H2,1-2H3,(H,18,19).
What are the key properties of 6-amino-N-(3-cyanophenyl)-2-methylheptanamide?
6-amino-N-(3-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-(3-cyanophenyl)-2-methylheptanamide is sourced from PubChem (CID 65292842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).