N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide

C21H24N2O3 — CID 113165901

IUPACN-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(CCCc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C21H24N2O3/c1-16(24)19-10-12-20(13-11-19)22-21(26)15-23(17(2)25)14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,22,26)
InChIKeyZPBSUKAXQJXFET-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.31
Rot. Bonds8

About N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide

N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide (PubChem CID 113165901) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide
PubChem CID113165901
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(CCCc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C21H24N2O3/c1-16(24)19-10-12-20(13-11-19)22-21(26)15-23(17(2)25)14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,22,26)
InChIKeyZPBSUKAXQJXFET-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide
CID 113165933
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide
CID 113165914
2-[acetyl(3-methylbutyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166595
2-[acetyl(3-phenylpropyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 113165936
2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113165855
2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113165897
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
CID 113160473
N-(4-acetylphenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 113158573
methyl 3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]benzoate
CID 113164089
methyl 4-[[2-[acetyl-[3-(dimethylamino)propyl]amino]acetyl]amino]benzoate
CID 113160912
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide (CID 113165901) is N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide is CC(=O)c1ccc(NC(=O)CN(CCCc2ccccc2)C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide?
The InChIKey is ZPBSUKAXQJXFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16(24)19-10-12-20(13-11-19)22-21(26)15-23(17(2)25)14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide?
N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide is sourced from PubChem (CID 113165901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).