N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide

C17H23N3O2 — CID 121239764

IUPACN-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide
SMILESCCC(C)C(CO)NC(=O)Cn1cnc(-c2ccccc2)c1
InChIInChI=1S/C17H23N3O2/c1-3-13(2)16(11-21)19-17(22)10-20-9-15(18-12-20)14-7-5-4-6-8-14/h4-9,12-13,16,21H,3,10-11H2,1-2H3,(H,19,22)
InChIKeyJGJQWVCFWFMZNM-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.07
Rot. Bonds7

About N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide

N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide (PubChem CID 121239764) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide
PubChem CID121239764
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide
SMILESCCC(C)C(CO)NC(=O)Cn1cnc(-c2ccccc2)c1
InChIInChI=1S/C17H23N3O2/c1-3-13(2)16(11-21)19-17(22)10-20-9-15(18-12-20)14-7-5-4-6-8-14/h4-9,12-13,16,21H,3,10-11H2,1-2H3,(H,19,22)
InChIKeyJGJQWVCFWFMZNM-UHFFFAOYSA-N
XLogP2.07
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 124854962
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205416
N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide
CID 46992082
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 91636761
N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide
CID 123132730
N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide
CID 102041361
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide
CID 125431725
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide
CID 125431726
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 124861697
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 91639956
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide
CID 91638290
tert-butyl N-[(2S,3S)-3-methyl-1-(4-phenyltriazol-1-yl)pentan-2-yl]carbamate
CID 102137466

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide (CID 121239764) is N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide is CCC(C)C(CO)NC(=O)Cn1cnc(-c2ccccc2)c1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide?
The InChIKey is JGJQWVCFWFMZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-13(2)16(11-21)19-17(22)10-20-9-15(18-12-20)14-7-5-4-6-8-14/h4-9,12-13,16,21H,3,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide?
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide is sourced from PubChem (CID 121239764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).