N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide

C21H26N2O3 — CID 4981647

IUPACN-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide
SMILESCC(=O)N(C)c1ccc(NC(=O)c2cccc(OCCC(C)C)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-15(2)12-13-26-20-7-5-6-17(14-20)21(25)22-18-8-10-19(11-9-18)23(4)16(3)24/h5-11,14-15H,12-13H2,1-4H3,(H,22,25)
InChIKeyUNNDEYQRHIRHJM-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.35
Rot. Bonds7

About N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide

N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide (PubChem CID 4981647) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide
PubChem CID4981647
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide
SMILESCC(=O)N(C)c1ccc(NC(=O)c2cccc(OCCC(C)C)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-15(2)12-13-26-20-7-5-6-17(14-20)21(25)22-18-8-10-19(11-9-18)23(4)16(3)24/h5-11,14-15H,12-13H2,1-4H3,(H,22,25)
InChIKeyUNNDEYQRHIRHJM-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide 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-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981665
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218835
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17230251
3-chloro-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949868
N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide
CID 17199103

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide (CID 4981647) is N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide is CC(=O)N(C)c1ccc(NC(=O)c2cccc(OCCC(C)C)c2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide?
The InChIKey is UNNDEYQRHIRHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(2)12-13-26-20-7-5-6-17(14-20)21(25)22-18-8-10-19(11-9-18)23(4)16(3)24/h5-11,14-15H,12-13H2,1-4H3,(H,22,25).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide?
N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide has a molecular weight of 354.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide is sourced from PubChem (CID 4981647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).