4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide

C15H23N3O2 — CID 61251692

IUPAC4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)CCCCCN)cc1
InChIInChI=1S/C15H23N3O2/c1-17-15(20)13-8-6-12(7-9-13)11-18-14(19)5-3-2-4-10-16/h6-9H,2-5,10-11,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyKJNKRPPAVQPIET-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.18
Rot. Bonds8

About 4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide

4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide (PubChem CID 61251692) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide
PubChem CID61251692
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)CCCCCN)cc1
InChIInChI=1S/C15H23N3O2/c1-17-15(20)13-8-6-12(7-9-13)11-18-14(19)5-3-2-4-10-16/h6-9H,2-5,10-11,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyKJNKRPPAVQPIET-UHFFFAOYSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide
CID 119701704
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide
CID 119762425
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
ethyl 4-[(4-aminobutanoylamino)methyl]benzoate
CID 119302074
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
CID 43471392
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050

Frequently Asked Questions

What is the IUPAC name of 4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide (CID 61251692) is 4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNC(=O)CCCCCN)cc1.
What is the InChIKey of 4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide?
The InChIKey is KJNKRPPAVQPIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-15(20)13-8-6-12(7-9-13)11-18-14(19)5-3-2-4-10-16/h6-9H,2-5,10-11,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide?
4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide is sourced from PubChem (CID 61251692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).