(2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide

C15H26N4O3 — CID 90648639

IUPAC(2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide
SMILESCOCCn1cnnc1CN(C)C(=O)[C@H](O)C1CCCCC1
InChIInChI=1S/C15H26N4O3/c1-18(10-13-17-16-11-19(13)8-9-22-2)15(21)14(20)12-6-4-3-5-7-12/h11-12,14,20H,3-10H2,1-2H3/t14-/m1/s1
InChIKeyISSFYRLXHSIXFG-CQSZACIVSA-N
MW310.40 g/mol
LogP0.82
Rot. Bonds7

About (2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide

(2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide (PubChem CID 90648639) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide
PubChem CID90648639
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name(2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide
SMILESCOCCn1cnnc1CN(C)C(=O)[C@H](O)C1CCCCC1
InChIInChI=1S/C15H26N4O3/c1-18(10-13-17-16-11-19(13)8-9-22-2)15(21)14(20)12-6-4-3-5-7-12/h11-12,14,20H,3-10H2,1-2H3/t14-/m1/s1
InChIKeyISSFYRLXHSIXFG-CQSZACIVSA-N
XLogP0.82
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide?
The IUPAC name of (2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide (CID 90648639) is (2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide.
What is the SMILES notation for (2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide?
The canonical SMILES for (2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide is COCCn1cnnc1CN(C)C(=O)[C@H](O)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide?
The InChIKey is ISSFYRLXHSIXFG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-18(10-13-17-16-11-19(13)8-9-22-2)15(21)14(20)12-6-4-3-5-7-12/h11-12,14,20H,3-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide?
(2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide has a molecular weight of 310.40 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 90648639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).