2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide

C19H19NO3 — CID 167869260

IUPAC2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide
SMILESCC(=O)c1ccc(CNC(=O)Cc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H19NO3/c1-13(21)17-7-3-15(4-8-17)11-19(23)20-12-16-5-9-18(10-6-16)14(2)22/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyADIFLRNYXOXSSW-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.95
Rot. Bonds6

About 2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide

2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide (PubChem CID 167869260) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide
PubChem CID167869260
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide
SMILESCC(=O)c1ccc(CNC(=O)Cc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H19NO3/c1-13(21)17-7-3-15(4-8-17)11-19(23)20-12-16-5-9-18(10-6-16)14(2)22/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyADIFLRNYXOXSSW-UHFFFAOYSA-N
XLogP2.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetylphenyl)methyl]propanamide
CID 20825268
methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate
CID 163207822
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
N-[(4-carbamothioylphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 62309630
2-(4-acetylphenyl)acetyl chloride
CID 19746515
N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
CID 18154107
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
CID 59915565
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2677349
N'-(4-acetylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947858
4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 46422120
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide (CID 167869260) is 2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide is CC(=O)c1ccc(CNC(=O)Cc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide?
The InChIKey is ADIFLRNYXOXSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(21)17-7-3-15(4-8-17)11-19(23)20-12-16-5-9-18(10-6-16)14(2)22/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide?
2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide is sourced from PubChem (CID 167869260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).