butyl N,N-dibutylcarbamate

C13H27NO2 — CID 11775995

IUPACbutyl N,N-dibutylcarbamate
SMILESCCCCOC(=O)N(CCCC)CCCC
InChIInChI=1S/C13H27NO2/c1-4-7-10-14(11-8-5-2)13(15)16-12-9-6-3/h4-12H2,1-3H3
InChIKeyPNTZVNQIKCEBNZ-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.83
Rot. Bonds9

About butyl N,N-dibutylcarbamate

butyl N,N-dibutylcarbamate (PubChem CID 11775995) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is butyl N,N-dibutylcarbamate.

Molecular Properties

Compound Namebutyl N,N-dibutylcarbamate
PubChem CID11775995
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Namebutyl N,N-dibutylcarbamate
SMILESCCCCOC(=O)N(CCCC)CCCC
InChIInChI=1S/C13H27NO2/c1-4-7-10-14(11-8-5-2)13(15)16-12-9-6-3/h4-12H2,1-3H3
InChIKeyPNTZVNQIKCEBNZ-UHFFFAOYSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 butyl N,N-dibutylcarbamate?
The IUPAC name of butyl N,N-dibutylcarbamate (CID 11775995) is butyl N,N-dibutylcarbamate.
What is the SMILES notation for butyl N,N-dibutylcarbamate?
The canonical SMILES for butyl N,N-dibutylcarbamate is CCCCOC(=O)N(CCCC)CCCC.
What is the InChIKey of butyl N,N-dibutylcarbamate?
The InChIKey is PNTZVNQIKCEBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-7-10-14(11-8-5-2)13(15)16-12-9-6-3/h4-12H2,1-3H3.
What are the key properties of butyl N,N-dibutylcarbamate?
butyl N,N-dibutylcarbamate has a molecular weight of 229.36 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N,N-dibutylcarbamate is sourced from PubChem (CID 11775995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).