3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide

C19H26N4O3 — CID 166428137

IUPAC3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide
SMILESCNC(=O)c1ccc(CCNC(=O)CCCn2ccnc2C)c(OC)c1
InChIInChI=1S/C19H26N4O3/c1-14-21-10-12-23(14)11-4-5-18(24)22-9-8-15-6-7-16(19(25)20-2)13-17(15)26-3/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3,(H,20,25)(H,22,24)
InChIKeySBZACRXTUCUVQS-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.70
Rot. Bonds9

About 3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide

3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide (PubChem CID 166428137) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide
PubChem CID166428137
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide
SMILESCNC(=O)c1ccc(CCNC(=O)CCCn2ccnc2C)c(OC)c1
InChIInChI=1S/C19H26N4O3/c1-14-21-10-12-23(14)11-4-5-18(24)22-9-8-15-6-7-16(19(25)20-2)13-17(15)26-3/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3,(H,20,25)(H,22,24)
InChIKeySBZACRXTUCUVQS-UHFFFAOYSA-N
XLogP1.70
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]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

3-methoxy-N-methyl-4-propylbenzamide
CID 155440057
N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide
CID 111471950
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide
CID 95303083
2-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2-methylimidazol-1-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24817058
N-ethyl-7-(2-methylimidazol-1-yl)heptanamide
CID 54522614
4-(4-tert-butylphenoxy)-N-[3-(2-methylimidazol-1-yl)propyl]butanamide
CID 55957830
N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide
CID 56783099
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 60546601
N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 34032078
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
CID 110601484
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110615942
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[4-(2-methylimidazol-1-yl)butyl]guanidine;hydroiodide
CID 111773501

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide (CID 166428137) is 3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide is CNC(=O)c1ccc(CCNC(=O)CCCn2ccnc2C)c(OC)c1.
What is the InChIKey of 3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide?
The InChIKey is SBZACRXTUCUVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14-21-10-12-23(14)11-4-5-18(24)22-9-8-15-6-7-16(19(25)20-2)13-17(15)26-3/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3,(H,20,25)(H,22,24).
What are the key properties of 3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide?
3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide has a molecular weight of 358.44 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide is sourced from PubChem (CID 166428137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).