4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide

C17H27N3O2 — CID 119701704

IUPAC4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)CCCCCCN)cc1
InChIInChI=1S/C17H27N3O2/c1-20(2)17(22)15-10-8-14(9-11-15)13-19-16(21)7-5-3-4-6-12-18/h8-11H,3-7,12-13,18H2,1-2H3,(H,19,21)
InChIKeyFVFQYBVVMPAMQU-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.91
Rot. Bonds9

About 4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide

4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide (PubChem CID 119701704) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide
PubChem CID119701704
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)CCCCCCN)cc1
InChIInChI=1S/C17H27N3O2/c1-20(2)17(22)15-10-8-14(9-11-15)13-19-16(21)7-5-3-4-6-12-18/h8-11H,3-7,12-13,18H2,1-2H3,(H,19,21)
InChIKeyFVFQYBVVMPAMQU-UHFFFAOYSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide
CID 61251692
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
ethyl 4-[(4-aminobutanoylamino)methyl]benzoate
CID 119302074
N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide
CID 119762425
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
CID 43471392
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 119802950
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908

Frequently Asked Questions

What is the IUPAC name of 4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide (CID 119701704) is 4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CNC(=O)CCCCCCN)cc1.
What is the InChIKey of 4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide?
The InChIKey is FVFQYBVVMPAMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-20(2)17(22)15-10-8-14(9-11-15)13-19-16(21)7-5-3-4-6-12-18/h8-11H,3-7,12-13,18H2,1-2H3,(H,19,21).
What are the key properties of 4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide?
4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide has a molecular weight of 305.42 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 119701704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).