N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide

C18H22N2O4 — CID 112989467

IUPACN-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H22N2O4/c1-5-17(21)20-13-8-6-12(7-9-13)19-14-10-15(22-2)18(24-4)16(11-14)23-3/h6-11,19H,5H2,1-4H3,(H,20,21)
InChIKeyCHMLLVVWVQSJRT-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.80
Rot. Bonds7

About N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide

N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide (PubChem CID 112989467) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide
PubChem CID112989467
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H22N2O4/c1-5-17(21)20-13-8-6-12(7-9-13)19-14-10-15(22-2)18(24-4)16(11-14)23-3/h6-11,19H,5H2,1-4H3,(H,20,21)
InChIKeyCHMLLVVWVQSJRT-UHFFFAOYSA-N
XLogP3.80
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(3,4,5-trimethoxyanilino)phenyl]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

N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide
CID 113036500
methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate
CID 112989491
N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 39991372
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide
CID 112989494
4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
CID 55847127
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide
CID 123370060
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide
CID 10344915
N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037688
N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
CID 24536642

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide?
The IUPAC name of N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide (CID 112989467) is N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide.
What is the SMILES notation for N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide?
The canonical SMILES for N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide is CCC(=O)Nc1ccc(Nc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide?
The InChIKey is CHMLLVVWVQSJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-5-17(21)20-13-8-6-12(7-9-13)19-14-10-15(22-2)18(24-4)16(11-14)23-3/h6-11,19H,5H2,1-4H3,(H,20,21).
What are the key properties of N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide?
N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide has a molecular weight of 330.38 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide is sourced from PubChem (CID 112989467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).