N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide

C19H26N4O3 — CID 70736244

IUPACN-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCc1nn(CC(=O)NC2CCC(O)CC2)c(=O)n1CCc1ccccc1
InChIInChI=1S/C19H26N4O3/c1-14-21-23(13-18(25)20-16-7-9-17(24)10-8-16)19(26)22(14)12-11-15-5-3-2-4-6-15/h2-6,16-17,24H,7-13H2,1H3,(H,20,25)
InChIKeyYBVIEHDHPIOKGC-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.02
Rot. Bonds6

About N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide

N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide (PubChem CID 70736244) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide
PubChem CID70736244
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCc1nn(CC(=O)NC2CCC(O)CC2)c(=O)n1CCc1ccccc1
InChIInChI=1S/C19H26N4O3/c1-14-21-23(13-18(25)20-16-7-9-17(24)10-8-16)19(26)22(14)12-11-15-5-3-2-4-6-15/h2-6,16-17,24H,7-13H2,1H3,(H,20,25)
InChIKeyYBVIEHDHPIOKGC-UHFFFAOYSA-N
XLogP1.02
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 70734854
2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one
CID 70759488
2-[2-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one
CID 70705389
N-cyclopentyl-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062959
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide
CID 70774243
2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide
CID 50768877
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
N-cyclohexyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide
CID 46959237
N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110895299
2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide
CID 70750399
N-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 138000636
5-butyl-2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-4-(2-phenylethyl)-1,2,4-triazol-3-one
CID 70750016

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide (CID 70736244) is N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide is Cc1nn(CC(=O)NC2CCC(O)CC2)c(=O)n1CCc1ccccc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide?
The InChIKey is YBVIEHDHPIOKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14-21-23(13-18(25)20-16-7-9-17(24)10-8-16)19(26)22(14)12-11-15-5-3-2-4-6-15/h2-6,16-17,24H,7-13H2,1H3,(H,20,25).
What are the key properties of N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide?
N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 70736244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).