butyl N-ethyl-N-methylcarbamate

C8H17NO2 — CID 57290167

IUPACbutyl N-ethyl-N-methylcarbamate
SMILESCCCCOC(=O)N(C)CC
InChIInChI=1S/C8H17NO2/c1-4-6-7-11-8(10)9(3)5-2/h4-7H2,1-3H3
InChIKeySXODXIOLWGHHNI-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.87
Rot. Bonds4

About butyl N-ethyl-N-methylcarbamate

butyl N-ethyl-N-methylcarbamate (PubChem CID 57290167) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is butyl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Namebutyl N-ethyl-N-methylcarbamate
PubChem CID57290167
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namebutyl N-ethyl-N-methylcarbamate
SMILESCCCCOC(=O)N(C)CC
InChIInChI=1S/C8H17NO2/c1-4-6-7-11-8(10)9(3)5-2/h4-7H2,1-3H3
InChIKeySXODXIOLWGHHNI-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.87
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-ethyl-N-methylcarbamate?
The IUPAC name of butyl N-ethyl-N-methylcarbamate (CID 57290167) is butyl N-ethyl-N-methylcarbamate.
What is the SMILES notation for butyl N-ethyl-N-methylcarbamate?
The canonical SMILES for butyl N-ethyl-N-methylcarbamate is CCCCOC(=O)N(C)CC.
What is the InChIKey of butyl N-ethyl-N-methylcarbamate?
The InChIKey is SXODXIOLWGHHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-6-7-11-8(10)9(3)5-2/h4-7H2,1-3H3.
What are the key properties of butyl N-ethyl-N-methylcarbamate?
butyl N-ethyl-N-methylcarbamate has a molecular weight of 159.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 57290167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).