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

C15H28N2O5 — CID 59155383

IUPAC[3-(butylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate
SMILESCCCCNC(=O)OCC1(OC(=O)NCCCC)CCOC1
InChIInChI=1S/C15H28N2O5/c1-3-5-8-16-13(18)21-12-15(7-10-20-11-15)22-14(19)17-9-6-4-2/h3-12H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyGQKPMPDLMIQMOT-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.20
Rot. Bonds9

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

[3-(butylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate (PubChem CID 59155383) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is [3-(butylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate.

Molecular Properties

Compound Name[3-(butylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate
PubChem CID59155383
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name[3-(butylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate
SMILESCCCCNC(=O)OCC1(OC(=O)NCCCC)CCOC1
InChIInChI=1S/C15H28N2O5/c1-3-5-8-16-13(18)21-12-15(7-10-20-11-15)22-14(19)17-9-6-4-2/h3-12H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyGQKPMPDLMIQMOT-UHFFFAOYSA-N
XLogP2.20
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(butylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate?
The IUPAC name of [3-(butylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate (CID 59155383) is [3-(butylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate.
What is the SMILES notation for [3-(butylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate?
The canonical SMILES for [3-(butylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate is CCCCNC(=O)OCC1(OC(=O)NCCCC)CCOC1.
What is the InChIKey of [3-(butylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate?
The InChIKey is GQKPMPDLMIQMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-3-5-8-16-13(18)21-12-15(7-10-20-11-15)22-14(19)17-9-6-4-2/h3-12H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of [3-(butylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate?
[3-(butylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate has a molecular weight of 316.40 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(butylcarbamoyloxy)oxolan-3-yl]methyl N-butylcarbamate is sourced from PubChem (CID 59155383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).