3-(5-methoxy-4-oxopentyl)benzamide

C13H17NO3 — CID 158062686

IUPAC3-(5-methoxy-4-oxopentyl)benzamide
SMILESCOCC(=O)CCCc1cccc(C(N)=O)c1
InChIInChI=1S/C13H17NO3/c1-17-9-12(15)7-3-5-10-4-2-6-11(8-10)13(14)16/h2,4,6,8H,3,5,7,9H2,1H3,(H2,14,16)
InChIKeyLDGGPFNGTRDDDB-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.32
Rot. Bonds7

About 3-(5-methoxy-4-oxopentyl)benzamide

3-(5-methoxy-4-oxopentyl)benzamide (PubChem CID 158062686) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(5-methoxy-4-oxopentyl)benzamide.

Molecular Properties

Compound Name3-(5-methoxy-4-oxopentyl)benzamide
PubChem CID158062686
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(5-methoxy-4-oxopentyl)benzamide
SMILESCOCC(=O)CCCc1cccc(C(N)=O)c1
InChIInChI=1S/C13H17NO3/c1-17-9-12(15)7-3-5-10-4-2-6-11(8-10)13(14)16/h2,4,6,8H,3,5,7,9H2,1H3,(H2,14,16)
InChIKeyLDGGPFNGTRDDDB-UHFFFAOYSA-N
XLogP1.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-methoxy-4-oxopentyl)benzamide 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

3-(12-amino-12-oxododecyl)benzamide
CID 19832819
3-[3-(diethylamino)propyl]benzamide
CID 175291972
3-(sulfanylmethyl)benzamide
CID 118350806
3-[3-(hydroxyamino)-3-oxopropyl]benzamide
CID 141465309
5-(3-acetylphenyl)pentan-2-one
CID 11052734
methane;3-(3-oxopropyl)benzamide
CID 178062718
3-(2-methylpropyl)benzamide
CID 23130390
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
1-(3-methoxyphenyl)heptan-4-one
CID 64502649
CID 159912901
CID 159912901
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
ethyl 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
CID 86073242

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-4-oxopentyl)benzamide?
The IUPAC name of 3-(5-methoxy-4-oxopentyl)benzamide (CID 158062686) is 3-(5-methoxy-4-oxopentyl)benzamide.
What is the SMILES notation for 3-(5-methoxy-4-oxopentyl)benzamide?
The canonical SMILES for 3-(5-methoxy-4-oxopentyl)benzamide is COCC(=O)CCCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(5-methoxy-4-oxopentyl)benzamide?
The InChIKey is LDGGPFNGTRDDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-9-12(15)7-3-5-10-4-2-6-11(8-10)13(14)16/h2,4,6,8H,3,5,7,9H2,1H3,(H2,14,16).
What are the key properties of 3-(5-methoxy-4-oxopentyl)benzamide?
3-(5-methoxy-4-oxopentyl)benzamide has a molecular weight of 235.28 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-4-oxopentyl)benzamide is sourced from PubChem (CID 158062686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).