3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide

C20H21N3O4 — CID 113134960

IUPAC3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2cccc(C#N)c2)c(OC)c1
InChIInChI=1S/C20H21N3O4/c1-14(24)23(16-6-4-5-15(11-16)13-21)10-9-20(25)22-18-8-7-17(26-2)12-19(18)27-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)
InChIKeyZNTGVNUTUXCXQZ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.96
Rot. Bonds7

About 3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide

3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 113134960) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID113134960
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2cccc(C#N)c2)c(OC)c1
InChIInChI=1S/C20H21N3O4/c1-14(24)23(16-6-4-5-15(11-16)13-21)10-9-20(25)22-18-8-7-17(26-2)12-19(18)27-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)
InChIKeyZNTGVNUTUXCXQZ-UHFFFAOYSA-N
XLogP2.96
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 113180958
3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113131042
3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113135609
3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
CID 113134926
3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113134925
3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide
CID 113130052
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113123860
3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924
3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
CID 113134986
3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
CID 113130291

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide (CID 113134960) is 3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(C(C)=O)c2cccc(C#N)c2)c(OC)c1.
What is the InChIKey of 3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is ZNTGVNUTUXCXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14(24)23(16-6-4-5-15(11-16)13-21)10-9-20(25)22-18-8-7-17(26-2)12-19(18)27-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide?
3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 367.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 113134960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).