N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide

C12H23NO2 — CID 79040016

IUPACN-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
SMILESCCC(C)(O)CNC(=O)C1(C)CCCC1
InChIInChI=1S/C12H23NO2/c1-4-12(3,15)9-13-10(14)11(2)7-5-6-8-11/h15H,4-9H2,1-3H3,(H,13,14)
InChIKeyFNXYCXOXVUDXJC-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.84
Rot. Bonds4

About N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide

N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 79040016) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
PubChem CID79040016
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
SMILESCCC(C)(O)CNC(=O)C1(C)CCCC1
InChIInChI=1S/C12H23NO2/c1-4-12(3,15)9-13-10(14)11(2)7-5-6-8-11/h15H,4-9H2,1-3H3,(H,13,14)
InChIKeyFNXYCXOXVUDXJC-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide (CID 79040016) is N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide is CCC(C)(O)CNC(=O)C1(C)CCCC1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is FNXYCXOXVUDXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-12(3,15)9-13-10(14)11(2)7-5-6-8-11/h15H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide?
N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 79040016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).