3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide

C20H24N2O2 — CID 78776290

IUPAC3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NC(C)c1ccccc1C)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-14-9-7-8-12-18(14)15(2)21-20(24)13-19(22-16(3)23)17-10-5-4-6-11-17/h4-12,15,19H,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyQALDISNSGGSMRW-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.44
Rot. Bonds6

About 3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide

3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide (PubChem CID 78776290) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide
PubChem CID78776290
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NC(C)c1ccccc1C)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-14-9-7-8-12-18(14)15(2)21-20(24)13-19(22-16(3)23)17-10-5-4-6-11-17/h4-12,15,19H,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyQALDISNSGGSMRW-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 2530467
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320
(3R)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752328
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
(3S)-3-acetamido-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-phenylpropanamide
CID 9164771
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide
CID 81087139
(2S)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119361300
3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide
CID 78781741
(2R)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119363670

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide (CID 78776290) is 3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide is CC(=O)NC(CC(=O)NC(C)c1ccccc1C)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is QALDISNSGGSMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-9-7-8-12-18(14)15(2)21-20(24)13-19(22-16(3)23)17-10-5-4-6-11-17/h4-12,15,19H,13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide?
3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 324.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 78776290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).