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

C17H22N4O4 — CID 91774265

IUPAC4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C17H22N4O4/c1-25-7-6-21-15(10-22)19-20-16(21)12-8-13(9-12)18-17(24)11-2-4-14(23)5-3-11/h2-5,12-13,22-23H,6-10H2,1H3,(H,18,24)
InChIKeyPSCKMVIAMDLVKE-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.80
Rot. Bonds7

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

4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide (PubChem CID 91774265) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
PubChem CID91774265
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C17H22N4O4/c1-25-7-6-21-15(10-22)19-20-16(21)12-8-13(9-12)18-17(24)11-2-4-14(23)5-3-11/h2-5,12-13,22-23H,6-10H2,1H3,(H,18,24)
InChIKeyPSCKMVIAMDLVKE-UHFFFAOYSA-N
XLogP0.80
TPSA109.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide?
The IUPAC name of 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide (CID 91774265) is 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide is COCCn1c(CO)nnc1C1CC(NC(=O)c2ccc(O)cc2)C1.
What is the InChIKey of 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide?
The InChIKey is PSCKMVIAMDLVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-25-7-6-21-15(10-22)19-20-16(21)12-8-13(9-12)18-17(24)11-2-4-14(23)5-3-11/h2-5,12-13,22-23H,6-10H2,1H3,(H,18,24).
What are the key properties of 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide?
4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide is sourced from PubChem (CID 91774265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).