N-benzyl-6-oxohexanamide

C13H17NO2 — CID 172715262

IUPACN-benzyl-6-oxohexanamide
SMILESO=CCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C13H17NO2/c15-10-6-2-5-9-13(16)14-11-12-7-3-1-4-8-12/h1,3-4,7-8,10H,2,5-6,9,11H2,(H,14,16)
InChIKeyFTVXFHTZIQWXHD-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.06
Rot. Bonds7

About N-benzyl-6-oxohexanamide

N-benzyl-6-oxohexanamide (PubChem CID 172715262) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-benzyl-6-oxohexanamide.

Molecular Properties

Compound NameN-benzyl-6-oxohexanamide
PubChem CID172715262
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-benzyl-6-oxohexanamide
SMILESO=CCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C13H17NO2/c15-10-6-2-5-9-13(16)14-11-12-7-3-1-4-8-12/h1,3-4,7-8,10H,2,5-6,9,11H2,(H,14,16)
InChIKeyFTVXFHTZIQWXHD-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-6-oxohexanamide 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

6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-[(4-fluorophenyl)methyl]-8-oxooctanamide
CID 90932899
N-benzylundecanamide
CID 5078198
N-benzyldocos-13-enamide;hydrochloride
CID 173286408
4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide
CID 54881613
(E)-N-benzylhexadec-4-enamide
CID 175178729
6-oxo-N-phenylhexanamide
CID 19422082
N-benzyl-3-chloropropanamide
CID 10391
(10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide
CID 102423715
(E)-N-benzyl-9-oxooctadec-12-enamide
CID 174776077
8-oxo-N-phenyloctanamide
CID 15739209
N-benzyl-4-phenylmethoxybutanamide
CID 15396752

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-oxohexanamide?
The IUPAC name of N-benzyl-6-oxohexanamide (CID 172715262) is N-benzyl-6-oxohexanamide.
What is the SMILES notation for N-benzyl-6-oxohexanamide?
The canonical SMILES for N-benzyl-6-oxohexanamide is O=CCCCCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-6-oxohexanamide?
The InChIKey is FTVXFHTZIQWXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-10-6-2-5-9-13(16)14-11-12-7-3-1-4-8-12/h1,3-4,7-8,10H,2,5-6,9,11H2,(H,14,16).
What are the key properties of N-benzyl-6-oxohexanamide?
N-benzyl-6-oxohexanamide has a molecular weight of 219.28 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-oxohexanamide is sourced from PubChem (CID 172715262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).