3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide

C20H24N2O2 — CID 113120810

IUPAC3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1)CCc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-16-7-6-10-19(15-16)21-20(24)12-14-22(17(2)23)13-11-18-8-4-3-5-9-18/h3-10,15H,11-14H2,1-2H3,(H,21,24)
InChIKeyCBURLJVBFUNNLL-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.41
Rot. Bonds7

About 3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide

3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide (PubChem CID 113120810) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
PubChem CID113120810
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1)CCc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-16-7-6-10-19(15-16)21-20(24)12-14-22(17(2)23)13-11-18-8-4-3-5-9-18/h3-10,15H,11-14H2,1-2H3,(H,21,24)
InChIKeyCBURLJVBFUNNLL-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
CID 113120818
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide
CID 113120974
3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide
CID 113123078
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide
CID 113118677
3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide
CID 113122324
3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789
3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113120869
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide
CID 113121533
3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide
CID 113122510

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide (CID 113120810) is 3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(C)c1)CCc1ccccc1.
What is the InChIKey of 3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide?
The InChIKey is CBURLJVBFUNNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-7-6-10-19(15-16)21-20(24)12-14-22(17(2)23)13-11-18-8-4-3-5-9-18/h3-10,15H,11-14H2,1-2H3,(H,21,24).
What are the key properties of 3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide?
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide has a molecular weight of 324.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113120810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).