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

C19H26N4O4 — CID 91760457

IUPAC4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)c2cc(C)c(O)c(C)c2)C1
InChIInChI=1S/C19H26N4O4/c1-11-6-14(7-12(2)17(11)25)19(26)20-15-8-13(9-15)18-22-21-16(10-24)23(18)4-5-27-3/h6-7,13,15,24-25H,4-5,8-10H2,1-3H3,(H,20,26)
InChIKeyLIZCMNWSGXVPCZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.42
Rot. Bonds7

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

4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide (PubChem CID 91760457) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide
PubChem CID91760457
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)c2cc(C)c(O)c(C)c2)C1
InChIInChI=1S/C19H26N4O4/c1-11-6-14(7-12(2)17(11)25)19(26)20-15-8-13(9-15)18-22-21-16(10-24)23(18)4-5-27-3/h6-7,13,15,24-25H,4-5,8-10H2,1-3H3,(H,20,26)
InChIKeyLIZCMNWSGXVPCZ-UHFFFAOYSA-N
XLogP1.42
TPSA109.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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]-3,5-dimethylbenzamide?
The IUPAC name of 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide (CID 91760457) is 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide.
What is the SMILES notation for 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide?
The canonical SMILES for 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide is COCCn1c(CO)nnc1C1CC(NC(=O)c2cc(C)c(O)c(C)c2)C1.
What is the InChIKey of 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide?
The InChIKey is LIZCMNWSGXVPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-11-6-14(7-12(2)17(11)25)19(26)20-15-8-13(9-15)18-22-21-16(10-24)23(18)4-5-27-3/h6-7,13,15,24-25H,4-5,8-10H2,1-3H3,(H,20,26).
What are the key properties of 4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide?
4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 1.42, 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]-3,5-dimethylbenzamide is sourced from PubChem (CID 91760457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).