[3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate

C14H26N2O5 — CID 21134550

IUPAC[3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate
SMILESCCCCNC(=O)OCC1(OC(=O)NCCC)CCOC1
InChIInChI=1S/C14H26N2O5/c1-3-5-8-16-12(17)20-11-14(6-9-19-10-14)21-13(18)15-7-4-2/h3-11H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyKMIMKDITISQGGA-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.81
Rot. Bonds8

About [3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate

[3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate (PubChem CID 21134550) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is [3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate.

Molecular Properties

Compound Name[3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate
PubChem CID21134550
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name[3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate
SMILESCCCCNC(=O)OCC1(OC(=O)NCCC)CCOC1
InChIInChI=1S/C14H26N2O5/c1-3-5-8-16-12(17)20-11-14(6-9-19-10-14)21-13(18)15-7-4-2/h3-11H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyKMIMKDITISQGGA-UHFFFAOYSA-N
XLogP1.81
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate?
The IUPAC name of [3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate (CID 21134550) is [3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate.
What is the SMILES notation for [3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate?
The canonical SMILES for [3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate is CCCCNC(=O)OCC1(OC(=O)NCCC)CCOC1.
What is the InChIKey of [3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate?
The InChIKey is KMIMKDITISQGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-3-5-8-16-12(17)20-11-14(6-9-19-10-14)21-13(18)15-7-4-2/h3-11H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of [3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate?
[3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate has a molecular weight of 302.37 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(propylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate is sourced from PubChem (CID 21134550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).