N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide

C14H22N4O3 — CID 91765569

IUPACN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C14H22N4O3/c1-2-21-8-13(20)15-10-5-9(6-10)14-17-16-12(7-19)18(14)11-3-4-11/h9-11,19H,2-8H2,1H3,(H,15,20)
InChIKeyTVOHDKMCTRHVEH-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.50
Rot. Bonds7

About N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide

N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide (PubChem CID 91765569) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide
PubChem CID91765569
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C14H22N4O3/c1-2-21-8-13(20)15-10-5-9(6-10)14-17-16-12(7-19)18(14)11-3-4-11/h9-11,19H,2-8H2,1H3,(H,15,20)
InChIKeyTVOHDKMCTRHVEH-UHFFFAOYSA-N
XLogP0.50
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide?
The IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide (CID 91765569) is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide?
The canonical SMILES for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide is CCOCC(=O)NC1CC(c2nnc(CO)n2C2CC2)C1.
What is the InChIKey of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide?
The InChIKey is TVOHDKMCTRHVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-21-8-13(20)15-10-5-9(6-10)14-17-16-12(7-19)18(14)11-3-4-11/h9-11,19H,2-8H2,1H3,(H,15,20).
What are the key properties of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide?
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide has a molecular weight of 294.36 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxyacetamide is sourced from PubChem (CID 91765569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).