ethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate

C12H25NO2 — CID 23402887

IUPACethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate
SMILESCCOC(=O)N(CCC(C)C)CC(C)C
InChIInChI=1S/C12H25NO2/c1-6-15-12(14)13(9-11(4)5)8-7-10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyBFOWTKWFMLZHCK-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.15
Rot. Bonds6

About ethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate

ethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate (PubChem CID 23402887) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate
PubChem CID23402887
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate
SMILESCCOC(=O)N(CCC(C)C)CC(C)C
InChIInChI=1S/C12H25NO2/c1-6-15-12(14)13(9-11(4)5)8-7-10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyBFOWTKWFMLZHCK-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate?
The IUPAC name of ethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate (CID 23402887) is ethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate.
What is the SMILES notation for ethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate?
The canonical SMILES for ethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate is CCOC(=O)N(CCC(C)C)CC(C)C.
What is the InChIKey of ethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate?
The InChIKey is BFOWTKWFMLZHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-15-12(14)13(9-11(4)5)8-7-10(2)3/h10-11H,6-9H2,1-5H3.
What are the key properties of ethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate?
ethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-methylbutyl)-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 23402887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).