3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide

C21H26N2O2 — CID 113120818

IUPAC3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)cc(C)c1)CCc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16-13-17(2)15-20(14-16)22-21(25)10-12-23(18(3)24)11-9-19-7-5-4-6-8-19/h4-8,13-15H,9-12H2,1-3H3,(H,22,25)
InChIKeyJIWOCHJZJFADNF-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.72
Rot. Bonds7

About 3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide

3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide (PubChem CID 113120818) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
PubChem CID113120818
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)cc(C)c1)CCc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16-13-17(2)15-20(14-16)22-21(25)10-12-23(18(3)24)11-9-19-7-5-4-6-8-19/h4-8,13-15H,9-12H2,1-3H3,(H,22,25)
InChIKeyJIWOCHJZJFADNF-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113120869
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113119484
3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 113120870
3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide
CID 113122324
3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113120880
3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113122292
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113119787
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide (CID 113120818) is 3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cc(C)cc(C)c1)CCc1ccccc1.
What is the InChIKey of 3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is JIWOCHJZJFADNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-13-17(2)15-20(14-16)22-21(25)10-12-23(18(3)24)11-9-19-7-5-4-6-8-19/h4-8,13-15H,9-12H2,1-3H3,(H,22,25).
What are the key properties of 3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide?
3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.72, 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-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113120818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).