N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide

C20H21N3O2 — CID 47028953

IUPACN-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C20H21N3O2/c1-16(25-14-17-6-3-2-4-7-17)20(24)22-19-9-5-8-18(12-19)13-23-11-10-21-15-23/h2-12,15-16H,13-14H2,1H3,(H,22,24)
InChIKeyXTALHUNFCKPJJN-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.48
Rot. Bonds7

About N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide

N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide (PubChem CID 47028953) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide
PubChem CID47028953
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C20H21N3O2/c1-16(25-14-17-6-3-2-4-7-17)20(24)22-19-9-5-8-18(12-19)13-23-11-10-21-15-23/h2-12,15-16H,13-14H2,1H3,(H,22,24)
InChIKeyXTALHUNFCKPJJN-UHFFFAOYSA-N
XLogP3.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide 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

2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 43696854
N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide
CID 55762938
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide
CID 60846611
2-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 63679875
N-(3-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187553
4-(imidazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide
CID 166201634
N-[3-(imidazol-1-ylmethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287273
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide
CID 79797789
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxypropanamide
CID 64792798
2-[[3-(imidazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 43698229
2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide
CID 86954742
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide?
The IUPAC name of N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide (CID 47028953) is N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide?
The canonical SMILES for N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)Nc1cccc(Cn2ccnc2)c1.
What is the InChIKey of N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide?
The InChIKey is XTALHUNFCKPJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-16(25-14-17-6-3-2-4-7-17)20(24)22-19-9-5-8-18(12-19)13-23-11-10-21-15-23/h2-12,15-16H,13-14H2,1H3,(H,22,24).
What are the key properties of N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide?
N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide has a molecular weight of 335.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 47028953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).