ethyl N-(2-methylpropyl)carbamate

C7H15NO2 — CID 10884

IUPACethyl N-(2-methylpropyl)carbamate
SMILESCCOC(=O)NCC(C)C
InChIInChI=1S/C7H15NO2/c1-4-10-7(9)8-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyXHQBGKPHDZWOHT-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.39
Rot. Bonds3

About ethyl N-(2-methylpropyl)carbamate

ethyl N-(2-methylpropyl)carbamate (PubChem CID 10884) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethyl N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methylpropyl)carbamate
PubChem CID10884
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethyl N-(2-methylpropyl)carbamate
SMILESCCOC(=O)NCC(C)C
InChIInChI=1S/C7H15NO2/c1-4-10-7(9)8-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyXHQBGKPHDZWOHT-UHFFFAOYSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methylpropyl)carbamate?
The IUPAC name of ethyl N-(2-methylpropyl)carbamate (CID 10884) is ethyl N-(2-methylpropyl)carbamate.
What is the SMILES notation for ethyl N-(2-methylpropyl)carbamate?
The canonical SMILES for ethyl N-(2-methylpropyl)carbamate is CCOC(=O)NCC(C)C.
What is the InChIKey of ethyl N-(2-methylpropyl)carbamate?
The InChIKey is XHQBGKPHDZWOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-10-7(9)8-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of ethyl N-(2-methylpropyl)carbamate?
ethyl N-(2-methylpropyl)carbamate has a molecular weight of 145.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methylpropyl)carbamate is sourced from PubChem (CID 10884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).