N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide

C18H25N3O2 — CID 47031047

IUPACN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide
SMILESCC(C)COC(C)C(=O)NCc1ccccc1Cn1ccnc1
InChIInChI=1S/C18H25N3O2/c1-14(2)12-23-15(3)18(22)20-10-16-6-4-5-7-17(16)11-21-9-8-19-13-21/h4-9,13-15H,10-12H2,1-3H3,(H,20,22)
InChIKeyXGBBYYHKBCRQFK-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.61
Rot. Bonds8

About N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide

N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide (PubChem CID 47031047) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide
PubChem CID47031047
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide
SMILESCC(C)COC(C)C(=O)NCc1ccccc1Cn1ccnc1
InChIInChI=1S/C18H25N3O2/c1-14(2)12-23-15(3)18(22)20-10-16-6-4-5-7-17(16)11-21-9-8-19-13-21/h4-9,13-15H,10-12H2,1-3H3,(H,20,22)
InChIKeyXGBBYYHKBCRQFK-UHFFFAOYSA-N
XLogP2.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)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 N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide?
The IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide (CID 47031047) is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide is CC(C)COC(C)C(=O)NCc1ccccc1Cn1ccnc1.
What is the InChIKey of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide?
The InChIKey is XGBBYYHKBCRQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(2)12-23-15(3)18(22)20-10-16-6-4-5-7-17(16)11-21-9-8-19-13-21/h4-9,13-15H,10-12H2,1-3H3,(H,20,22).
What are the key properties of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide?
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide is sourced from PubChem (CID 47031047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).