3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide

C21H26N2O3 — CID 113128795

IUPAC3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)Nc1ccc(C(C)C)cc1)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-15(2)17-9-11-18(12-10-17)22-21(25)13-14-23(16(3)24)19-7-5-6-8-20(19)26-4/h5-12,15H,13-14H2,1-4H3,(H,22,25)
InChIKeyPXAHEQMRTKXQIL-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.20
Rot. Bonds7

About 3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide

3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 113128795) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID113128795
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)Nc1ccc(C(C)C)cc1)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-15(2)17-9-11-18(12-10-17)22-21(25)13-14-23(16(3)24)19-7-5-6-8-20(19)26-4/h5-12,15H,13-14H2,1-4H3,(H,22,25)
InChIKeyPXAHEQMRTKXQIL-UHFFFAOYSA-N
XLogP4.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113128809
3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113123440
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113128810
3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide
CID 113128829
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129788
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide
CID 113129770
3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113128801
3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 113129785
3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129331
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1321632
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide (CID 113128795) is 3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide is COc1ccccc1N(CCC(=O)Nc1ccc(C(C)C)cc1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is PXAHEQMRTKXQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(2)17-9-11-18(12-10-17)22-21(25)13-14-23(16(3)24)19-7-5-6-8-20(19)26-4/h5-12,15H,13-14H2,1-4H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide?
3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113128795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).