2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide

C21H31N3O2 — CID 42819530

IUPAC2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
SMILESCOCC(=O)N(Cc1nccn1Cc1c(C)cc(C)cc1C)CC(C)C
InChIInChI=1S/C21H31N3O2/c1-15(2)11-24(21(25)14-26-6)13-20-22-7-8-23(20)12-19-17(4)9-16(3)10-18(19)5/h7-10,15H,11-14H2,1-6H3
InChIKeySAIDCTBREMJWRJ-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.49
Rot. Bonds8

About 2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide

2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide (PubChem CID 42819530) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
PubChem CID42819530
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
SMILESCOCC(=O)N(Cc1nccn1Cc1c(C)cc(C)cc1C)CC(C)C
InChIInChI=1S/C21H31N3O2/c1-15(2)11-24(21(25)14-26-6)13-20-22-7-8-23(20)12-19-17(4)9-16(3)10-18(19)5/h7-10,15H,11-14H2,1-6H3
InChIKeySAIDCTBREMJWRJ-UHFFFAOYSA-N
XLogP3.49
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide (CID 42819530) is 2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide is COCC(=O)N(Cc1nccn1Cc1c(C)cc(C)cc1C)CC(C)C.
What is the InChIKey of 2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide?
The InChIKey is SAIDCTBREMJWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15(2)11-24(21(25)14-26-6)13-20-22-7-8-23(20)12-19-17(4)9-16(3)10-18(19)5/h7-10,15H,11-14H2,1-6H3.
What are the key properties of 2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide?
2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide has a molecular weight of 357.50 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylpropyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 42819530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).