N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide

C13H25NO2 — CID 104919962

IUPACN-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CCCC1(C)C
InChIInChI=1S/C13H25NO2/c1-10(15)7-9-14(4)12(16)11-6-5-8-13(11,2)3/h10-11,15H,5-9H2,1-4H3
InChIKeyJDKAERRHJOAZJG-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.04
Rot. Bonds4

About N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide

N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide (PubChem CID 104919962) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide
PubChem CID104919962
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CCCC1(C)C
InChIInChI=1S/C13H25NO2/c1-10(15)7-9-14(4)12(16)11-6-5-8-13(11,2)3/h10-11,15H,5-9H2,1-4H3
InChIKeyJDKAERRHJOAZJG-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide (CID 104919962) is N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide is CC(O)CCN(C)C(=O)C1CCCC1(C)C.
What is the InChIKey of N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide?
The InChIKey is JDKAERRHJOAZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(15)7-9-14(4)12(16)11-6-5-8-13(11,2)3/h10-11,15H,5-9H2,1-4H3.
What are the key properties of N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide?
N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 104919962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).