4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide

C19H21NO3 — CID 20969140

IUPAC4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-14-3-5-15(6-4-14)13-20-19(22)12-11-18(21)16-7-9-17(23-2)10-8-16/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyTYRNZYXDBOSMDT-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.28
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide

4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide (PubChem CID 20969140) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
PubChem CID20969140
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-14-3-5-15(6-4-14)13-20-19(22)12-11-18(21)16-7-9-17(23-2)10-8-16/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyTYRNZYXDBOSMDT-UHFFFAOYSA-N
XLogP3.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.28
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
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
4-(4-methoxyphenyl)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-4-oxobutanamide
CID 108738448
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 25402695
N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 8833236
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[1-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108796278
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108923141
3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129069
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide (CID 20969140) is 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide?
The InChIKey is TYRNZYXDBOSMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-3-5-15(6-4-14)13-20-19(22)12-11-18(21)16-7-9-17(23-2)10-8-16/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide?
4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide has a molecular weight of 311.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide is sourced from PubChem (CID 20969140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).