N-(4-butylphenyl)-2,3,4-trimethoxybenzamide

C20H25NO4 — CID 9442096

IUPACN-(4-butylphenyl)-2,3,4-trimethoxybenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C20H25NO4/c1-5-6-7-14-8-10-15(11-9-14)21-20(22)16-12-13-17(23-2)19(25-4)18(16)24-3/h8-13H,5-7H2,1-4H3,(H,21,22)
InChIKeyRRKWKFFZASNXJA-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.31
Rot. Bonds8

About N-(4-butylphenyl)-2,3,4-trimethoxybenzamide

N-(4-butylphenyl)-2,3,4-trimethoxybenzamide (PubChem CID 9442096) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(4-butylphenyl)-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2,3,4-trimethoxybenzamide
PubChem CID9442096
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-(4-butylphenyl)-2,3,4-trimethoxybenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C20H25NO4/c1-5-6-7-14-8-10-15(11-9-14)21-20(22)16-12-13-17(23-2)19(25-4)18(16)24-3/h8-13H,5-7H2,1-4H3,(H,21,22)
InChIKeyRRKWKFFZASNXJA-UHFFFAOYSA-N
XLogP4.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-butylphenyl)-2,3,4-trimethoxybenzamide 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-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721
N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 3515829
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471
N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide
CID 24636994
2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide
CID 112765648
N-(4-butylphenyl)-2,4-difluorobenzamide
CID 8961049
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
N-(4-butylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3375192
2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid
CID 119254386
2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7768109
2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 19171553

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2,3,4-trimethoxybenzamide?
The IUPAC name of N-(4-butylphenyl)-2,3,4-trimethoxybenzamide (CID 9442096) is N-(4-butylphenyl)-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-(4-butylphenyl)-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-(4-butylphenyl)-2,3,4-trimethoxybenzamide is CCCCc1ccc(NC(=O)c2ccc(OC)c(OC)c2OC)cc1.
What is the InChIKey of N-(4-butylphenyl)-2,3,4-trimethoxybenzamide?
The InChIKey is RRKWKFFZASNXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-5-6-7-14-8-10-15(11-9-14)21-20(22)16-12-13-17(23-2)19(25-4)18(16)24-3/h8-13H,5-7H2,1-4H3,(H,21,22).
What are the key properties of N-(4-butylphenyl)-2,3,4-trimethoxybenzamide?
N-(4-butylphenyl)-2,3,4-trimethoxybenzamide has a molecular weight of 343.42 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 9442096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).