7-amino-N-(5-amino-2-methylphenyl)heptanamide

C14H23N3O — CID 122081266

IUPAC7-amino-N-(5-amino-2-methylphenyl)heptanamide
SMILESCc1ccc(N)cc1NC(=O)CCCCCCN
InChIInChI=1S/C14H23N3O/c1-11-7-8-12(16)10-13(11)17-14(18)6-4-2-3-5-9-15/h7-8,10H,2-6,9,15-16H2,1H3,(H,17,18)
InChIKeyNGGLXJVCWNFLCO-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.42
Rot. Bonds7

About 7-amino-N-(5-amino-2-methylphenyl)heptanamide

7-amino-N-(5-amino-2-methylphenyl)heptanamide (PubChem CID 122081266) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 7-amino-N-(5-amino-2-methylphenyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(5-amino-2-methylphenyl)heptanamide
PubChem CID122081266
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name7-amino-N-(5-amino-2-methylphenyl)heptanamide
SMILESCc1ccc(N)cc1NC(=O)CCCCCCN
InChIInChI=1S/C14H23N3O/c1-11-7-8-12(16)10-13(11)17-14(18)6-4-2-3-5-9-15/h7-8,10H,2-6,9,15-16H2,1H3,(H,17,18)
InChIKeyNGGLXJVCWNFLCO-UHFFFAOYSA-N
XLogP2.42
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724
3-(7-aminoheptanoylamino)-N-ethyl-4-methylbenzamide
CID 119714202
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879460
N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695280
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(5-amino-2-methylphenyl)heptanamide?
The IUPAC name of 7-amino-N-(5-amino-2-methylphenyl)heptanamide (CID 122081266) is 7-amino-N-(5-amino-2-methylphenyl)heptanamide.
What is the SMILES notation for 7-amino-N-(5-amino-2-methylphenyl)heptanamide?
The canonical SMILES for 7-amino-N-(5-amino-2-methylphenyl)heptanamide is Cc1ccc(N)cc1NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(5-amino-2-methylphenyl)heptanamide?
The InChIKey is NGGLXJVCWNFLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-7-8-12(16)10-13(11)17-14(18)6-4-2-3-5-9-15/h7-8,10H,2-6,9,15-16H2,1H3,(H,17,18).
What are the key properties of 7-amino-N-(5-amino-2-methylphenyl)heptanamide?
7-amino-N-(5-amino-2-methylphenyl)heptanamide has a molecular weight of 249.36 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(5-amino-2-methylphenyl)heptanamide is sourced from PubChem (CID 122081266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).