3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide

C20H21N3O2 — CID 113124627

IUPAC3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C#N)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-14-4-9-19(12-15(14)2)23(16(3)24)11-10-20(25)22-18-7-5-17(13-21)6-8-18/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyWCKSRPRFTFQUGE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.56
Rot. Bonds5

About 3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide

3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide (PubChem CID 113124627) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
PubChem CID113124627
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C#N)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-14-4-9-19(12-15(14)2)23(16(3)24)11-10-20(25)22-18-7-5-17(13-21)6-8-18/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyWCKSRPRFTFQUGE-UHFFFAOYSA-N
XLogP3.56
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546
3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
CID 113130291
3-(N-acetyl-3,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124580
3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
CID 113135117
3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide
CID 113132517
3-(N-acetyl-4-propan-2-ylanilino)-N-(4-cyanophenyl)propanamide
CID 113125961
3-(N-acetyl-2,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124281
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide
CID 113131889
3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113135127
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide
CID 113129676
3-(N-acetyl-3,4-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113124562

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide (CID 113124627) is 3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C#N)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of 3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide?
The InChIKey is WCKSRPRFTFQUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-4-9-19(12-15(14)2)23(16(3)24)11-10-20(25)22-18-7-5-17(13-21)6-8-18/h4-9,12H,10-11H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide?
3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 113124627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).