N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide

C14H26N4O2 — CID 80742430

IUPACN,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
SMILESCCCCN(CCCC)C(=O)Cn1cc(C(C)O)nn1
InChIInChI=1S/C14H26N4O2/c1-4-6-8-17(9-7-5-2)14(20)11-18-10-13(12(3)19)15-16-18/h10,12,19H,4-9,11H2,1-3H3
InChIKeyCKESOSZOFVIRSQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.76
Rot. Bonds9

About N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide

N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide (PubChem CID 80742430) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
PubChem CID80742430
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
SMILESCCCCN(CCCC)C(=O)Cn1cc(C(C)O)nn1
InChIInChI=1S/C14H26N4O2/c1-4-6-8-17(9-7-5-2)14(20)11-18-10-13(12(3)19)15-16-18/h10,12,19H,4-9,11H2,1-3H3
InChIKeyCKESOSZOFVIRSQ-UHFFFAOYSA-N
XLogP1.76
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
The IUPAC name of N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide (CID 80742430) is N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
The canonical SMILES for N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide is CCCCN(CCCC)C(=O)Cn1cc(C(C)O)nn1.
What is the InChIKey of N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
The InChIKey is CKESOSZOFVIRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-6-8-17(9-7-5-2)14(20)11-18-10-13(12(3)19)15-16-18/h10,12,19H,4-9,11H2,1-3H3.
What are the key properties of N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide has a molecular weight of 282.39 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 80742430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).