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

C20H21N3O2 — CID 113119056

IUPAC3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C#N)C(C)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15(17-8-4-3-5-9-17)23(16(2)24)13-12-20(25)22-19-11-7-6-10-18(19)14-21/h3-11,15H,12-13H2,1-2H3,(H,22,25)
InChIKeyKYAWRFLRDQVUKU-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.50
Rot. Bonds6

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

3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide (PubChem CID 113119056) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide
PubChem CID113119056
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C#N)C(C)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15(17-8-4-3-5-9-17)23(16(2)24)13-12-20(25)22-19-11-7-6-10-18(19)14-21/h3-11,15H,12-13H2,1-2H3,(H,22,25)
InChIKeyKYAWRFLRDQVUKU-UHFFFAOYSA-N
XLogP3.50
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297
3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113118985
N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295810
3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113119048
N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide
CID 113119025
3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide
CID 113133155
3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122330
N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694009
N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide
CID 43824183
N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666891
3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122793
N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107199658

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide?
The IUPAC name of 3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide (CID 113119056) is 3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide?
The canonical SMILES for 3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C#N)C(C)c1ccccc1.
What is the InChIKey of 3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide?
The InChIKey is KYAWRFLRDQVUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15(17-8-4-3-5-9-17)23(16(2)24)13-12-20(25)22-19-11-7-6-10-18(19)14-21/h3-11,15H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide?
3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 113119056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).