oxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate

C13H23NO3 — CID 54395375

IUPACoxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate
SMILESCN(CC1CCCCC1)C(=O)OC1CCOC1
InChIInChI=1S/C13H23NO3/c1-14(9-11-5-3-2-4-6-11)13(15)17-12-7-8-16-10-12/h11-12H,2-10H2,1H3
InChIKeyVJOIYGCCAHEDGV-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.42
Rot. Bonds3

About oxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate

oxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate (PubChem CID 54395375) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is oxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate
PubChem CID54395375
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameoxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate
SMILESCN(CC1CCCCC1)C(=O)OC1CCOC1
InChIInChI=1S/C13H23NO3/c1-14(9-11-5-3-2-4-6-11)13(15)17-12-7-8-16-10-12/h11-12H,2-10H2,1H3
InChIKeyVJOIYGCCAHEDGV-UHFFFAOYSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate?
The IUPAC name of oxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate (CID 54395375) is oxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate.
What is the SMILES notation for oxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate?
The canonical SMILES for oxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate is CN(CC1CCCCC1)C(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate?
The InChIKey is VJOIYGCCAHEDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-14(9-11-5-3-2-4-6-11)13(15)17-12-7-8-16-10-12/h11-12H,2-10H2,1H3.
What are the key properties of oxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate?
oxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate has a molecular weight of 241.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-(cyclohexylmethyl)-N-methylcarbamate is sourced from PubChem (CID 54395375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).