ethyl N-methyl-N-octylcarbamate

C12H25NO2 — CID 15790108

IUPACethyl N-methyl-N-octylcarbamate
SMILESCCCCCCCCN(C)C(=O)OCC
InChIInChI=1S/C12H25NO2/c1-4-6-7-8-9-10-11-13(3)12(14)15-5-2/h4-11H2,1-3H3
InChIKeyRKVBBFCJKBRKGS-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.44
Rot. Bonds8

About ethyl N-methyl-N-octylcarbamate

ethyl N-methyl-N-octylcarbamate (PubChem CID 15790108) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethyl N-methyl-N-octylcarbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-octylcarbamate
PubChem CID15790108
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethyl N-methyl-N-octylcarbamate
SMILESCCCCCCCCN(C)C(=O)OCC
InChIInChI=1S/C12H25NO2/c1-4-6-7-8-9-10-11-13(3)12(14)15-5-2/h4-11H2,1-3H3
InChIKeyRKVBBFCJKBRKGS-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.44
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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Related Compounds

ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
undecyl N-methyl-N-pentylcarbamate
CID 54297307
ethyl N-methyl-N-(7-oxooctyl)carbamate
CID 146646007
ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
methyl N-hexyl-N-methylcarbamate
CID 14923771
ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
CID 170571033
[methyl(octadecyl)amino] N-methyl-N-octadecylcarbamate
CID 101201104
propan-2-yl N-methyl-N-octylcarbamate
CID 166755395
propan-2-yl N-hexyl-N-methylcarbamate
CID 88569732
octyl 2-[ethoxycarbonyl(methyl)amino]acetate
CID 91709596

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-octylcarbamate?
The IUPAC name of ethyl N-methyl-N-octylcarbamate (CID 15790108) is ethyl N-methyl-N-octylcarbamate.
What is the SMILES notation for ethyl N-methyl-N-octylcarbamate?
The canonical SMILES for ethyl N-methyl-N-octylcarbamate is CCCCCCCCN(C)C(=O)OCC.
What is the InChIKey of ethyl N-methyl-N-octylcarbamate?
The InChIKey is RKVBBFCJKBRKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-6-7-8-9-10-11-13(3)12(14)15-5-2/h4-11H2,1-3H3.
What are the key properties of ethyl N-methyl-N-octylcarbamate?
ethyl N-methyl-N-octylcarbamate has a molecular weight of 215.34 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-octylcarbamate is sourced from PubChem (CID 15790108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).