5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide

C20H23NO3 — CID 110298184

IUPAC5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-15-6-8-16(9-7-15)14-21-20(23)5-3-4-19(22)17-10-12-18(24-2)13-11-17/h6-13H,3-5,14H2,1-2H3,(H,21,23)
InChIKeyKVSXCLSRJSAVAN-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.67
Rot. Bonds8

About 5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide

5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide (PubChem CID 110298184) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
PubChem CID110298184
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-15-6-8-16(9-7-15)14-21-20(23)5-3-4-19(22)17-10-12-18(24-2)13-11-17/h6-13H,3-5,14H2,1-2H3,(H,21,23)
InChIKeyKVSXCLSRJSAVAN-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 26695901
4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 20969140
5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide
CID 55972820
4-(4-methoxyphenyl)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-4-oxobutanamide
CID 108738448
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
methyl 4-[[4-(4-methylphenoxy)butanoylamino]methyl]benzoate
CID 38016515
N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 8833236
5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide
CID 55914473
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2677349
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide
CID 171817090

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide (CID 110298184) is 5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide?
The InChIKey is KVSXCLSRJSAVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-6-8-16(9-7-15)14-21-20(23)5-3-4-19(22)17-10-12-18(24-2)13-11-17/h6-13H,3-5,14H2,1-2H3,(H,21,23).
What are the key properties of 5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide?
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide has a molecular weight of 325.41 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide is sourced from PubChem (CID 110298184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).