N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide

C21H24N2O3 — CID 18154236

IUPACN-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCC(=O)Nc1ccc(CNC(=O)CCC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H24N2O3/c1-14-4-7-18(12-15(14)2)20(25)10-11-21(26)22-13-17-5-8-19(9-6-17)23-16(3)24/h4-9,12H,10-11,13H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyZROILZHQCYXHEW-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.54
Rot. Bonds7

About N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide

N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide (PubChem CID 18154236) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
PubChem CID18154236
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCC(=O)Nc1ccc(CNC(=O)CCC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H24N2O3/c1-14-4-7-18(12-15(14)2)20(25)10-11-21(26)22-13-17-5-8-19(9-6-17)23-16(3)24/h4-9,12H,10-11,13H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyZROILZHQCYXHEW-UHFFFAOYSA-N
XLogP3.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
4-(3,4-dimethylphenyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-oxobutanamide
CID 33022919
methyl 5-[[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]methyl]-2-methoxybenzoate
CID 27819912
4-(3,4-dimethylphenyl)-4-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]butanamide
CID 108736257
4-(3,4-dimethylphenyl)-4-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 18132539
N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796648
methyl 4-[(4-acetamidophenyl)methylamino]-4-oxobutanoate
CID 59342834
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
4-(3,4-dimethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32989416
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108923141
4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide
CID 9375029

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide (CID 18154236) is N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide is CC(=O)Nc1ccc(CNC(=O)CCC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The InChIKey is ZROILZHQCYXHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-4-7-18(12-15(14)2)20(25)10-11-21(26)22-13-17-5-8-19(9-6-17)23-16(3)24/h4-9,12H,10-11,13H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide?
N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide has a molecular weight of 352.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 18154236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).