N-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide

C11H20N4O2 — CID 65114113

IUPACN-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide
SMILESCCC(O)(CC)CNC(=O)CCn1ccnn1
InChIInChI=1S/C11H20N4O2/c1-3-11(17,4-2)9-12-10(16)5-7-15-8-6-13-14-15/h6,8,17H,3-5,7,9H2,1-2H3,(H,12,16)
InChIKeyYBYBAXXUUFTCOY-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.34
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide

N-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide (PubChem CID 65114113) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide
PubChem CID65114113
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide
SMILESCCC(O)(CC)CNC(=O)CCn1ccnn1
InChIInChI=1S/C11H20N4O2/c1-3-11(17,4-2)9-12-10(16)5-7-15-8-6-13-14-15/h6,8,17H,3-5,7,9H2,1-2H3,(H,12,16)
InChIKeyYBYBAXXUUFTCOY-UHFFFAOYSA-N
XLogP0.34
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide (CID 65114113) is N-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide is CCC(O)(CC)CNC(=O)CCn1ccnn1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide?
The InChIKey is YBYBAXXUUFTCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-11(17,4-2)9-12-10(16)5-7-15-8-6-13-14-15/h6,8,17H,3-5,7,9H2,1-2H3,(H,12,16).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide?
N-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide has a molecular weight of 240.31 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 65114113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).