3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide

C20H21N3O4 — CID 113130052

IUPAC3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide
SMILESCOc1ccc(OC)c(N(CCC(=O)Nc2cccc(C#N)c2)C(C)=O)c1
InChIInChI=1S/C20H21N3O4/c1-14(24)23(18-12-17(26-2)7-8-19(18)27-3)10-9-20(25)22-16-6-4-5-15(11-16)13-21/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)
InChIKeyKGVFMYQZHMYWGP-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.96
Rot. Bonds7

About 3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide

3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide (PubChem CID 113130052) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide
PubChem CID113130052
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide
SMILESCOc1ccc(OC)c(N(CCC(=O)Nc2cccc(C#N)c2)C(C)=O)c1
InChIInChI=1S/C20H21N3O4/c1-14(24)23(18-12-17(26-2)7-8-19(18)27-3)10-9-20(25)22-16-6-4-5-15(11-16)13-21/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)
InChIKeyKGVFMYQZHMYWGP-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

3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide
CID 113129676
3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113134960
N-(3-cyanophenyl)-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955950
N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide
CID 113130769
3-(N-acetyl-3,5-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113134148
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113130020
2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 113174637
3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
CID 113130291
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide
CID 113164937
3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide
CID 113128829
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130022

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide (CID 113130052) is 3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide is COc1ccc(OC)c(N(CCC(=O)Nc2cccc(C#N)c2)C(C)=O)c1.
What is the InChIKey of 3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide?
The InChIKey is KGVFMYQZHMYWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14(24)23(18-12-17(26-2)7-8-19(18)27-3)10-9-20(25)22-16-6-4-5-15(11-16)13-21/h4-8,11-12H,9-10H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide?
3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)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-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 113130052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).