2-ethylbutyl N,N-diethylcarbamate

C11H23NO2 — CID 13433127

IUPAC2-ethylbutyl N,N-diethylcarbamate
SMILESCCC(CC)COC(=O)N(CC)CC
InChIInChI=1S/C11H23NO2/c1-5-10(6-2)9-14-11(13)12(7-3)8-4/h10H,5-9H2,1-4H3
InChIKeyKFGLQLVKBBZZHR-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.90
Rot. Bonds6

About 2-ethylbutyl N,N-diethylcarbamate

2-ethylbutyl N,N-diethylcarbamate (PubChem CID 13433127) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-ethylbutyl N,N-diethylcarbamate.

Molecular Properties

Compound Name2-ethylbutyl N,N-diethylcarbamate
PubChem CID13433127
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-ethylbutyl N,N-diethylcarbamate
SMILESCCC(CC)COC(=O)N(CC)CC
InChIInChI=1S/C11H23NO2/c1-5-10(6-2)9-14-11(13)12(7-3)8-4/h10H,5-9H2,1-4H3
InChIKeyKFGLQLVKBBZZHR-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethylbutyl N,N-diethylcarbamate 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

2-Methylpropyl diethylcarbamate
CID 13314072
Isobutylcarbamate, N,N-diisopropyl
CID 52921001
2-Ethylbutyl dimethylcarbamate
CID 13433126
Butyl diethylcarbamate
CID 10241277
butyl N-ethyl-N-methylcarbamate
CID 57290167
2-methylbutyl N,N-bis(2-methylpropyl)carbamate
CID 127538253
2-methylpropyl N,N-dibutylcarbamate
CID 13751147
Isobutylcarbamate, N,N-dipropyl
CID 59217983
Isobutylcarbamate, N,Np-diisobutyl
CID 59217991
Isobutylcarbamate, N-ethyl-N-methyl
CID 59833241
ethyl N,N-bis(2-methylpropyl)carbamate
CID 4390843
propyl N,N-diethylcarbamate
CID 13314075

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl N,N-diethylcarbamate?
The IUPAC name of 2-ethylbutyl N,N-diethylcarbamate (CID 13433127) is 2-ethylbutyl N,N-diethylcarbamate.
What is the SMILES notation for 2-ethylbutyl N,N-diethylcarbamate?
The canonical SMILES for 2-ethylbutyl N,N-diethylcarbamate is CCC(CC)COC(=O)N(CC)CC.
What is the InChIKey of 2-ethylbutyl N,N-diethylcarbamate?
The InChIKey is KFGLQLVKBBZZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-10(6-2)9-14-11(13)12(7-3)8-4/h10H,5-9H2,1-4H3.
What are the key properties of 2-ethylbutyl N,N-diethylcarbamate?
2-ethylbutyl N,N-diethylcarbamate has a molecular weight of 201.31 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl N,N-diethylcarbamate is sourced from PubChem (CID 13433127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).