2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide

C21H29N3O — CID 42819570

IUPAC2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide
SMILESC=CCN(Cc1nccn1Cc1c(C)cc(C)cc1C)C(=O)C(C)C
InChIInChI=1S/C21H29N3O/c1-7-9-24(21(25)15(2)3)14-20-22-8-10-23(20)13-19-17(5)11-16(4)12-18(19)6/h7-8,10-12,15H,1,9,13-14H2,2-6H3
InChIKeyJAUHYPIJSSJJDZ-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.03
Rot. Bonds7

About 2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide

2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide (PubChem CID 42819570) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide
PubChem CID42819570
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide
SMILESC=CCN(Cc1nccn1Cc1c(C)cc(C)cc1C)C(=O)C(C)C
InChIInChI=1S/C21H29N3O/c1-7-9-24(21(25)15(2)3)14-20-22-8-10-23(20)13-19-17(5)11-16(4)12-18(19)6/h7-8,10-12,15H,1,9,13-14H2,2-6H3
InChIKeyJAUHYPIJSSJJDZ-UHFFFAOYSA-N
XLogP4.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide 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-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide (CID 42819570) is 2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide is C=CCN(Cc1nccn1Cc1c(C)cc(C)cc1C)C(=O)C(C)C.
What is the InChIKey of 2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide?
The InChIKey is JAUHYPIJSSJJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-7-9-24(21(25)15(2)3)14-20-22-8-10-23(20)13-19-17(5)11-16(4)12-18(19)6/h7-8,10-12,15H,1,9,13-14H2,2-6H3.
What are the key properties of 2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide?
2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide has a molecular weight of 339.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide is sourced from PubChem (CID 42819570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).