3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide

C21H26N2O2 — CID 113120822

IUPAC3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(CCc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O2/c1-3-18-9-11-20(12-10-18)22-21(25)14-16-23(17(2)24)15-13-19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3,(H,22,25)
InChIKeyLBDGORVILXOGHX-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.67
Rot. Bonds8

About 3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide

3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide (PubChem CID 113120822) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
PubChem CID113120822
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(CCc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O2/c1-3-18-9-11-20(12-10-18)22-21(25)14-16-23(17(2)24)15-13-19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3,(H,22,25)
InChIKeyLBDGORVILXOGHX-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide
CID 113123250
3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
CID 113120818
3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113120869
3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 113120870
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-ethylphenyl)acetamide
CID 113164399
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide
CID 113121149
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113121176

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide (CID 113120822) is 3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCN(CCc2ccccc2)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide?
The InChIKey is LBDGORVILXOGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-18-9-11-20(12-10-18)22-21(25)14-16-23(17(2)24)15-13-19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide?
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.67, 8 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-(4-ethylphenyl)propanamide is sourced from PubChem (CID 113120822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).