3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide

C21H26N2O2 — CID 113118985

IUPAC3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1C)C(C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-15-9-8-12-20(16(15)2)22-21(25)13-14-23(18(4)24)17(3)19-10-6-5-7-11-19/h5-12,17H,13-14H2,1-4H3,(H,22,25)
InChIKeySTFSHRUDTMSMLV-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.24
Rot. Bonds6

About 3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide

3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide (PubChem CID 113118985) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
PubChem CID113118985
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1C)C(C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-15-9-8-12-20(16(15)2)22-21(25)13-14-23(18(4)24)17(3)19-10-6-5-7-11-19/h5-12,17H,13-14H2,1-4H3,(H,22,25)
InChIKeySTFSHRUDTMSMLV-UHFFFAOYSA-N
XLogP4.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113116210
3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113118994
3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide
CID 113119056
3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122902
3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113119048
N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide
CID 113119025
N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348322
3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 109031799
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113115015
3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113119018
ethyl 4-[3-[acetyl(1-phenylethyl)amino]propanoylamino]benzoate
CID 113119044

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide (CID 113118985) is 3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(C)c1C)C(C)c1ccccc1.
What is the InChIKey of 3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is STFSHRUDTMSMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-9-8-12-20(16(15)2)22-21(25)13-14-23(18(4)24)17(3)19-10-6-5-7-11-19/h5-12,17H,13-14H2,1-4H3,(H,22,25).
What are the key properties of 3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide?
3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 113118985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).