N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide

C21H24N2O3 — CID 113119025

IUPACN-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(C(C)=O)C(C)c2ccccc2)c1
InChIInChI=1S/C21H24N2O3/c1-15(18-8-5-4-6-9-18)23(17(3)25)13-12-21(26)22-20-11-7-10-19(14-20)16(2)24/h4-11,14-15H,12-13H2,1-3H3,(H,22,26)
InChIKeyYMNXOJLWBSBLMQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.83
Rot. Bonds7

About N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide

N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide (PubChem CID 113119025) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide
PubChem CID113119025
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(C(C)=O)C(C)c2ccccc2)c1
InChIInChI=1S/C21H24N2O3/c1-15(18-8-5-4-6-9-18)23(17(3)25)13-12-21(26)22-20-11-7-10-19(14-20)16(2)24/h4-11,14-15H,12-13H2,1-3H3,(H,22,26)
InChIKeyYMNXOJLWBSBLMQ-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113119018
ethyl 4-[3-[acetyl(1-phenylethyl)amino]propanoylamino]benzoate
CID 113119044
3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113118985
3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide
CID 113119056
3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113118994
3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113119048
N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666921
N-(3-acetylphenyl)-3-phenylsulfanylpropanamide
CID 1322631
2-[acetyl(1-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113162035
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753
3-[acetyl(butan-2-yl)amino]-N-(3-chlorophenyl)propanamide
CID 113116225
N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138717

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide (CID 113119025) is N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide is CC(=O)c1cccc(NC(=O)CCN(C(C)=O)C(C)c2ccccc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide?
The InChIKey is YMNXOJLWBSBLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(18-8-5-4-6-9-18)23(17(3)25)13-12-21(26)22-20-11-7-10-19(14-20)16(2)24/h4-11,14-15H,12-13H2,1-3H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide?
N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide has a molecular weight of 352.43 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide is sourced from PubChem (CID 113119025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).