N-[(4-methoxyphenyl)methyl]-4-oxopentanamide

C13H17NO3 — CID 60636923

IUPACN-[(4-methoxyphenyl)methyl]-4-oxopentanamide
SMILESCOc1ccc(CNC(=O)CCC(C)=O)cc1
InChIInChI=1S/C13H17NO3/c1-10(15)3-8-13(16)14-9-11-4-6-12(17-2)7-5-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyQAPCOPBYTXLNJV-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.68
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-4-oxopentanamide

N-[(4-methoxyphenyl)methyl]-4-oxopentanamide (PubChem CID 60636923) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-oxopentanamide
PubChem CID60636923
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-oxopentanamide
SMILESCOc1ccc(CNC(=O)CCC(C)=O)cc1
InChIInChI=1S/C13H17NO3/c1-10(15)3-8-13(16)14-9-11-4-6-12(17-2)7-5-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyQAPCOPBYTXLNJV-UHFFFAOYSA-N
XLogP1.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methoxyphenyl)methyl]-4-oxopentanamide 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-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 26695901
4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 20969140
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-oxopentanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-oxopentanamide (CID 60636923) is N-[(4-methoxyphenyl)methyl]-4-oxopentanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-oxopentanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-oxopentanamide is COc1ccc(CNC(=O)CCC(C)=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-oxopentanamide?
The InChIKey is QAPCOPBYTXLNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(15)3-8-13(16)14-9-11-4-6-12(17-2)7-5-11/h4-7H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-oxopentanamide?
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide has a molecular weight of 235.28 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-oxopentanamide is sourced from PubChem (CID 60636923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).