ethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate

C13H25NO2 — CID 162221726

IUPACethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate
SMILESCCOC(=O)NC1CCCC1CC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-5-16-12(15)14-11-8-6-7-10(11)9-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyFMXUNJUMORMAPV-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.34
Rot. Bonds3

About ethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate

ethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate (PubChem CID 162221726) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate
PubChem CID162221726
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate
SMILESCCOC(=O)NC1CCCC1CC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-5-16-12(15)14-11-8-6-7-10(11)9-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyFMXUNJUMORMAPV-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate?
The IUPAC name of ethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate (CID 162221726) is ethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate is CCOC(=O)NC1CCCC1CC(C)(C)C.
What is the InChIKey of ethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate?
The InChIKey is FMXUNJUMORMAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-16-12(15)14-11-8-6-7-10(11)9-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of ethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate?
ethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate has a molecular weight of 227.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,2-dimethylpropyl)cyclopentyl]carbamate is sourced from PubChem (CID 162221726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).