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

C16H26N4O3 — CID 91767530

IUPACN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]cyclopentanecarboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)C2CCCC2)C1
InChIInChI=1S/C16H26N4O3/c1-23-7-6-20-14(10-21)18-19-15(20)12-8-13(9-12)17-16(22)11-4-2-3-5-11/h11-13,21H,2-10H2,1H3,(H,17,22)
InChIKeyXSJJXYRAECNCND-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.97
Rot. Bonds7

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

N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]cyclopentanecarboxamide (PubChem CID 91767530) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]cyclopentanecarboxamide
PubChem CID91767530
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]cyclopentanecarboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)C2CCCC2)C1
InChIInChI=1S/C16H26N4O3/c1-23-7-6-20-14(10-21)18-19-15(20)12-8-13(9-12)17-16(22)11-4-2-3-5-11/h11-13,21H,2-10H2,1H3,(H,17,22)
InChIKeyXSJJXYRAECNCND-UHFFFAOYSA-N
XLogP0.97
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]cyclopentanecarboxamide (CID 91767530) is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]cyclopentanecarboxamide is COCCn1c(CO)nnc1C1CC(NC(=O)C2CCCC2)C1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]cyclopentanecarboxamide?
The InChIKey is XSJJXYRAECNCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-23-7-6-20-14(10-21)18-19-15(20)12-8-13(9-12)17-16(22)11-4-2-3-5-11/h11-13,21H,2-10H2,1H3,(H,17,22).
What are the key properties of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]cyclopentanecarboxamide?
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]cyclopentanecarboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]cyclopentanecarboxamide is sourced from PubChem (CID 91767530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).