N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide

C17H23N3O2 — CID 125443273

IUPACN-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide
SMILESCCC[C@H](NC(=O)COCc1ccccc1)c1nccn1C
InChIInChI=1S/C17H23N3O2/c1-3-7-15(17-18-10-11-20(17)2)19-16(21)13-22-12-14-8-5-4-6-9-14/h4-6,8-11,15H,3,7,12-13H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyLMXNCDXRKTWUFT-HNNXBMFYSA-N
MW301.39 g/mol
LogP2.59
Rot. Bonds8

About N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide

N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide (PubChem CID 125443273) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide
PubChem CID125443273
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide
SMILESCCC[C@H](NC(=O)COCc1ccccc1)c1nccn1C
InChIInChI=1S/C17H23N3O2/c1-3-7-15(17-18-10-11-20(17)2)19-16(21)13-22-12-14-8-5-4-6-9-14/h4-6,8-11,15H,3,7,12-13H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyLMXNCDXRKTWUFT-HNNXBMFYSA-N
XLogP2.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide 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-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 125435014
3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide
CID 91797052
1-cyclobutyl-3-[1-(1-methylimidazol-2-yl)butyl]urea
CID 122560812
1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide
CID 122567737
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537
(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
CID 107569369
3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 118793775
N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 135101819
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide
CID 125437638
3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]propanamide
CID 125437651
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 125178024
5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 122571901

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide (CID 125443273) is N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide is CCC[C@H](NC(=O)COCc1ccccc1)c1nccn1C.
What is the InChIKey of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide?
The InChIKey is LMXNCDXRKTWUFT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-7-15(17-18-10-11-20(17)2)19-16(21)13-22-12-14-8-5-4-6-9-14/h4-6,8-11,15H,3,7,12-13H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide?
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide has a molecular weight of 301.39 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 125443273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).