butyl N-butyl-N-cyclohexylcarbamate

C15H29NO2 — CID 134915685

IUPACbutyl N-butyl-N-cyclohexylcarbamate
SMILESCCCCOC(=O)N(CCCC)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-3-5-12-16(14-10-8-7-9-11-14)15(17)18-13-6-4-2/h14H,3-13H2,1-2H3
InChIKeyFVNKRMLIHSDCDB-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.36
Rot. Bonds7

About butyl N-butyl-N-cyclohexylcarbamate

butyl N-butyl-N-cyclohexylcarbamate (PubChem CID 134915685) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is butyl N-butyl-N-cyclohexylcarbamate.

Molecular Properties

Compound Namebutyl N-butyl-N-cyclohexylcarbamate
PubChem CID134915685
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namebutyl N-butyl-N-cyclohexylcarbamate
SMILESCCCCOC(=O)N(CCCC)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-3-5-12-16(14-10-8-7-9-11-14)15(17)18-13-6-4-2/h14H,3-13H2,1-2H3
InChIKeyFVNKRMLIHSDCDB-UHFFFAOYSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.36
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-butyl-N-cyclohexylcarbamate?
The IUPAC name of butyl N-butyl-N-cyclohexylcarbamate (CID 134915685) is butyl N-butyl-N-cyclohexylcarbamate.
What is the SMILES notation for butyl N-butyl-N-cyclohexylcarbamate?
The canonical SMILES for butyl N-butyl-N-cyclohexylcarbamate is CCCCOC(=O)N(CCCC)C1CCCCC1.
What is the InChIKey of butyl N-butyl-N-cyclohexylcarbamate?
The InChIKey is FVNKRMLIHSDCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-5-12-16(14-10-8-7-9-11-14)15(17)18-13-6-4-2/h14H,3-13H2,1-2H3.
What are the key properties of butyl N-butyl-N-cyclohexylcarbamate?
butyl N-butyl-N-cyclohexylcarbamate has a molecular weight of 255.40 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-butyl-N-cyclohexylcarbamate is sourced from PubChem (CID 134915685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).