2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide

C20H21N3O2 — CID 113165933

IUPAC2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide
SMILESCC(=O)N(CCCc1ccccc1)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C20H21N3O2/c1-16(24)23(13-5-8-17-6-3-2-4-7-17)15-20(25)22-19-11-9-18(14-21)10-12-19/h2-4,6-7,9-12H,5,8,13,15H2,1H3,(H,22,25)
InChIKeyBMXWXOVAUQWMAQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.98
Rot. Bonds7

About 2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide

2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide (PubChem CID 113165933) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide
PubChem CID113165933
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide
SMILESCC(=O)N(CCCc1ccccc1)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C20H21N3O2/c1-16(24)23(13-5-8-17-6-3-2-4-7-17)15-20(25)22-19-11-9-18(14-21)10-12-19/h2-4,6-7,9-12H,5,8,13,15H2,1H3,(H,22,25)
InChIKeyBMXWXOVAUQWMAQ-UHFFFAOYSA-N
XLogP2.98
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide
CID 113165901
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide
CID 113164626
N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151892
2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide
CID 113165914
2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide
CID 113177559
2-[acetyl(3-phenylpropyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 113165936
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113165855
2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113165897
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
CID 113160473
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide (CID 113165933) is 2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide is CC(=O)N(CCCc1ccccc1)CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide?
The InChIKey is BMXWXOVAUQWMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-16(24)23(13-5-8-17-6-3-2-4-7-17)15-20(25)22-19-11-9-18(14-21)10-12-19/h2-4,6-7,9-12H,5,8,13,15H2,1H3,(H,22,25).
What are the key properties of 2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide?
2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 113165933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).