2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide

C15H26N4O2 — CID 91791310

IUPAC2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCCOCC(=O)NCc1nncn1C1CCCCC1
InChIInChI=1S/C15H26N4O2/c1-2-3-9-21-11-15(20)16-10-14-18-17-12-19(14)13-7-5-4-6-8-13/h12-13H,2-11H2,1H3,(H,16,20)
InChIKeyOZTPCZYRGNKNKS-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.22
Rot. Bonds8

About 2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide

2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 91791310) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID91791310
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCCOCC(=O)NCc1nncn1C1CCCCC1
InChIInChI=1S/C15H26N4O2/c1-2-3-9-21-11-15(20)16-10-14-18-17-12-19(14)13-7-5-4-6-8-13/h12-13H,2-11H2,1H3,(H,16,20)
InChIKeyOZTPCZYRGNKNKS-UHFFFAOYSA-N
XLogP2.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 91791310) is 2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide is CCCCOCC(=O)NCc1nncn1C1CCCCC1.
What is the InChIKey of 2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is OZTPCZYRGNKNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-2-3-9-21-11-15(20)16-10-14-18-17-12-19(14)13-7-5-4-6-8-13/h12-13H,2-11H2,1H3,(H,16,20).
What are the key properties of 2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 91791310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).