3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide

C21H23N3O2 — CID 113135183

IUPAC3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1ccc(C#N)cc1)c1cccc(C)c1
InChIInChI=1S/C21H23N3O2/c1-4-23(20-7-5-6-16(2)14-20)21(26)12-13-24(17(3)25)19-10-8-18(15-22)9-11-19/h5-11,14H,4,12-13H2,1-3H3
InChIKeyVKIIHXHBEBYPHU-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.66
Rot. Bonds6

About 3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide

3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 113135183) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID113135183
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1ccc(C#N)cc1)c1cccc(C)c1
InChIInChI=1S/C21H23N3O2/c1-4-23(20-7-5-6-16(2)14-20)21(26)12-13-24(17(3)25)19-10-8-18(15-22)9-11-19/h5-11,14H,4,12-13H2,1-3H3
InChIKeyVKIIHXHBEBYPHU-UHFFFAOYSA-N
XLogP3.66
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113125493
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113133094
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113134364
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127653
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113129365
3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108992791
3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
CID 60737545
ethyl 2-[acetyl-[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate
CID 113134647
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide (CID 113135183) is 3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide is CCN(C(=O)CCN(C(C)=O)c1ccc(C#N)cc1)c1cccc(C)c1.
What is the InChIKey of 3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is VKIIHXHBEBYPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-23(20-7-5-6-16(2)14-20)21(26)12-13-24(17(3)25)19-10-8-18(15-22)9-11-19/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of 3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113135183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).