N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide

C13H25NO2 — CID 71917016

IUPACN-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide
SMILESCCC(CC)(CCO)CNC(=O)C1CC1C
InChIInChI=1S/C13H25NO2/c1-4-13(5-2,6-7-15)9-14-12(16)11-8-10(11)3/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyMEQUMLCUFXHFEF-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.95
Rot. Bonds7

About N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide

N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 71917016) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide
PubChem CID71917016
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide
SMILESCCC(CC)(CCO)CNC(=O)C1CC1C
InChIInChI=1S/C13H25NO2/c1-4-13(5-2,6-7-15)9-14-12(16)11-8-10(11)3/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyMEQUMLCUFXHFEF-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide (CID 71917016) is N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide is CCC(CC)(CCO)CNC(=O)C1CC1C.
What is the InChIKey of N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is MEQUMLCUFXHFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-13(5-2,6-7-15)9-14-12(16)11-8-10(11)3/h10-11,15H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide?
N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 71917016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).