N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide

C17H23N3O2 — CID 111471950

IUPACN-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1CCCC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-14-18-11-13-20(14)12-5-8-17(22)19-10-9-16(21)15-6-3-2-4-7-15/h2-4,6-7,11,13,16,21H,5,8-10,12H2,1H3,(H,19,22)
InChIKeyFKYYHRKLRXXMNB-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.21
Rot. Bonds8

About N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide

N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide (PubChem CID 111471950) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide
PubChem CID111471950
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1CCCC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-14-18-11-13-20(14)12-5-8-17(22)19-10-9-16(21)15-6-3-2-4-7-15/h2-4,6-7,11,13,16,21H,5,8-10,12H2,1H3,(H,19,22)
InChIKeyFKYYHRKLRXXMNB-UHFFFAOYSA-N
XLogP2.21
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide 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

N-ethyl-7-(2-methylimidazol-1-yl)heptanamide
CID 54522614
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
N-(3-hydroxy-3-phenylpropyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 111471932
1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 111481818
1-[3-(2-methylimidazol-1-yl)propyl]-3-[(1S)-2-methylsulfanyl-1-phenylethyl]urea
CID 97317498
3-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide
CID 91768167
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
CID 54508862
4-(4-tert-butylphenoxy)-N-[3-(2-methylimidazol-1-yl)propyl]butanamide
CID 55957830
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 111481816
N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide
CID 63811458

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide (CID 111471950) is N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide is Cc1nccn1CCCC(=O)NCCC(O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide?
The InChIKey is FKYYHRKLRXXMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-14-18-11-13-20(14)12-5-8-17(22)19-10-9-16(21)15-6-3-2-4-7-15/h2-4,6-7,11,13,16,21H,5,8-10,12H2,1H3,(H,19,22).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide?
N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide has a molecular weight of 301.39 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide is sourced from PubChem (CID 111471950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).