3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide

C20H21N3O2 — CID 113134859

IUPAC3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NC(C)c1ccccc1)c1cccc(C#N)c1
InChIInChI=1S/C20H21N3O2/c1-15(18-8-4-3-5-9-18)22-20(25)11-12-23(16(2)24)19-10-6-7-17(13-19)14-21/h3-10,13,15H,11-12H2,1-2H3,(H,22,25)
InChIKeySHPROIVXWHMKJN-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.18
Rot. Bonds6

About 3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide

3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide (PubChem CID 113134859) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide
PubChem CID113134859
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NC(C)c1ccccc1)c1cccc(C#N)c1
InChIInChI=1S/C20H21N3O2/c1-15(18-8-4-3-5-9-18)22-20(25)11-12-23(16(2)24)19-10-6-7-17(13-19)14-21/h3-10,13,15H,11-12H2,1-2H3,(H,22,25)
InChIKeySHPROIVXWHMKJN-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide
CID 113123753
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924
3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
CID 113134926
3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide
CID 113134840
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide
CID 113064234
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide
CID 113129840
3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113134925
N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide
CID 113130769
3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide
CID 113134868
3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
CID 113134986
3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113134960

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide (CID 113134859) is 3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide is CC(=O)N(CCC(=O)NC(C)c1ccccc1)c1cccc(C#N)c1.
What is the InChIKey of 3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide?
The InChIKey is SHPROIVXWHMKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15(18-8-4-3-5-9-18)22-20(25)11-12-23(16(2)24)19-10-6-7-17(13-19)14-21/h3-10,13,15H,11-12H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide?
3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 113134859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).