butyl N-butyl-N-ethylcarbamate

C11H23NO2 — CID 134988010

IUPACbutyl N-butyl-N-ethylcarbamate
SMILESCCCCOC(=O)N(CC)CCCC
InChIInChI=1S/C11H23NO2/c1-4-7-9-12(6-3)11(13)14-10-8-5-2/h4-10H2,1-3H3
InChIKeyQCPSQOBUHPUKJS-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.05
Rot. Bonds7

About butyl N-butyl-N-ethylcarbamate

butyl N-butyl-N-ethylcarbamate (PubChem CID 134988010) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is butyl N-butyl-N-ethylcarbamate.

Molecular Properties

Compound Namebutyl N-butyl-N-ethylcarbamate
PubChem CID134988010
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namebutyl N-butyl-N-ethylcarbamate
SMILESCCCCOC(=O)N(CC)CCCC
InChIInChI=1S/C11H23NO2/c1-4-7-9-12(6-3)11(13)14-10-8-5-2/h4-10H2,1-3H3
InChIKeyQCPSQOBUHPUKJS-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butyl N-butyl-N-ethylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl-N,N-di-n-butyl carbamate
CID 16674
Carbamic acid, dipropyl-, ethyl ester
CID 23416
Ethyl diisopropylcarbamate
CID 30213
Ethyl pyrrolidine-1-carboxylate
CID 79614
Dibutoline
CID 10764
Butyl piperidine-1-carboxylate
CID 232662
Butyl pyrrolidine-1-carboxylate
CID 232668
Pyrrolidine, N-isoBOC
CID 259455
2-fluoroethyl N,N-dipropylcarbamate
CID 129671671
Propan-2-yl diethylcarbamate
CID 231820
Carbamic acid, dibutyl-, methyl ester
CID 3590545
Carbamic acid, dihexyl-, ethyl ester
CID 4231384

Frequently Asked Questions

What is the IUPAC name of butyl N-butyl-N-ethylcarbamate?
The IUPAC name of butyl N-butyl-N-ethylcarbamate (CID 134988010) is butyl N-butyl-N-ethylcarbamate.
What is the SMILES notation for butyl N-butyl-N-ethylcarbamate?
The canonical SMILES for butyl N-butyl-N-ethylcarbamate is CCCCOC(=O)N(CC)CCCC.
What is the InChIKey of butyl N-butyl-N-ethylcarbamate?
The InChIKey is QCPSQOBUHPUKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-7-9-12(6-3)11(13)14-10-8-5-2/h4-10H2,1-3H3.
What are the key properties of butyl N-butyl-N-ethylcarbamate?
butyl N-butyl-N-ethylcarbamate has a molecular weight of 201.31 g/mol, XLogP of 3.05, 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-ethylcarbamate is sourced from PubChem (CID 134988010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).