N-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide

C19H26N4O2 — CID 171158913

IUPACN-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@@H](c2nc(-c3ccccc3)nn2C(C)C)CC[C@H]1O
InChIInChI=1S/C19H26N4O2/c1-12(2)23-19(21-18(22-23)14-7-5-4-6-8-14)15-9-10-17(25)16(11-15)20-13(3)24/h4-8,12,15-17,25H,9-11H2,1-3H3,(H,20,24)/t15-,16+,17+/m0/s1
InChIKeyUXXFQTJVSFVPMP-GVDBMIGSSA-N
MW342.44 g/mol
LogP2.66
Rot. Bonds4

About N-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide

N-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide (PubChem CID 171158913) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide
PubChem CID171158913
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@@H](c2nc(-c3ccccc3)nn2C(C)C)CC[C@H]1O
InChIInChI=1S/C19H26N4O2/c1-12(2)23-19(21-18(22-23)14-7-5-4-6-8-14)15-9-10-17(25)16(11-15)20-13(3)24/h4-8,12,15-17,25H,9-11H2,1-3H3,(H,20,24)/t15-,16+,17+/m0/s1
InChIKeyUXXFQTJVSFVPMP-GVDBMIGSSA-N
XLogP2.66
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]-3-propan-2-ylurea
CID 171158939
N-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]-2-phenoxyacetamide
CID 171158927
N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-propan-2-yl-1,2,4-triazol-3-yl]cyclohexyl]-3-methylbenzamide
CID 171158969
N-[(1R,2R,5S)-5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-hydroxycyclohexyl]benzamide
CID 171159100
N-[(1R,2R,5S)-2-hydroxy-5-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)cyclohexyl]-3-methylbutanamide
CID 171159064
N-[(1R,2R,5S)-2-hydroxy-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)cyclohexyl]-3,3-dimethylbutanamide
CID 171159032
5-chloro-3-phenyl-1-propan-2-yl-1,2,4-triazole
CID 70372932
5-cyclopropyl-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-propan-2-yl-1,2,4-triazole
CID 162704756
N-[(1R,2R,5S)-2-hydroxy-5-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)cyclohexyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 171159073
ethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate
CID 140656277
(5-cyclopropyl-1-methylpyrazol-3-yl)-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164695344
(1R,2R,4S)-2-(cyclobutylamino)-4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-ol
CID 171159220

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide?
The IUPAC name of N-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide (CID 171158913) is N-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide.
What is the SMILES notation for N-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide?
The canonical SMILES for N-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide is CC(=O)N[C@@H]1C[C@@H](c2nc(-c3ccccc3)nn2C(C)C)CC[C@H]1O.
What is the InChIKey of N-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide?
The InChIKey is UXXFQTJVSFVPMP-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)23-19(21-18(22-23)14-7-5-4-6-8-14)15-9-10-17(25)16(11-15)20-13(3)24/h4-8,12,15-17,25H,9-11H2,1-3H3,(H,20,24)/t15-,16+,17+/m0/s1.
What are the key properties of N-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide?
N-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,5S)-2-hydroxy-5-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclohexyl]acetamide is sourced from PubChem (CID 171158913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).