2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide

C19H23N3O2 — CID 166334268

IUPAC2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide
SMILESO=C(NC(Cn1ccnc1)c1ccccc1)C(O)C1=CCCCC1
InChIInChI=1S/C19H23N3O2/c23-18(16-9-5-2-6-10-16)19(24)21-17(13-22-12-11-20-14-22)15-7-3-1-4-8-15/h1,3-4,7-9,11-12,14,17-18,23H,2,5-6,10,13H2,(H,21,24)
InChIKeyCMDXKVYXLGHZRC-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.60
Rot. Bonds6

About 2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide

2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide (PubChem CID 166334268) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide
PubChem CID166334268
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide
SMILESO=C(NC(Cn1ccnc1)c1ccccc1)C(O)C1=CCCCC1
InChIInChI=1S/C19H23N3O2/c23-18(16-9-5-2-6-10-16)19(24)21-17(13-22-12-11-20-14-22)15-7-3-1-4-8-15/h1,3-4,7-9,11-12,14,17-18,23H,2,5-6,10,13H2,(H,21,24)
InChIKeyCMDXKVYXLGHZRC-UHFFFAOYSA-N
XLogP2.60
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide
CID 45178755
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide
CID 124845301
N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide
CID 162635076
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
CID 126429651
N-(2-imidazol-1-yl-1-phenylethyl)-4-methylpiperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 154889857
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 99946597
N-(2-imidazol-1-yl-1-phenylethyl)-2-methyl-2-morpholin-4-ylpropanamide
CID 91828526
3-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea
CID 126448953
N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50982007

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide (CID 166334268) is 2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide is O=C(NC(Cn1ccnc1)c1ccccc1)C(O)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide?
The InChIKey is CMDXKVYXLGHZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18(16-9-5-2-6-10-16)19(24)21-17(13-22-12-11-20-14-22)15-7-3-1-4-8-15/h1,3-4,7-9,11-12,14,17-18,23H,2,5-6,10,13H2,(H,21,24).
What are the key properties of 2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide?
2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-2-hydroxy-N-(2-imidazol-1-yl-1-phenylethyl)acetamide is sourced from PubChem (CID 166334268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).