ethyl N-butan-2-ylcarbamate

C7H15NO2 — CID 4135618

IUPACethyl N-butan-2-ylcarbamate
SMILESCCOC(=O)NC(C)CC
InChIInChI=1S/C7H15NO2/c1-4-6(3)8-7(9)10-5-2/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyMWWHFPACIRAPEB-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.53
Rot. Bonds3

About ethyl N-butan-2-ylcarbamate

ethyl N-butan-2-ylcarbamate (PubChem CID 4135618) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethyl N-butan-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-butan-2-ylcarbamate
PubChem CID4135618
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethyl N-butan-2-ylcarbamate
SMILESCCOC(=O)NC(C)CC
InChIInChI=1S/C7H15NO2/c1-4-6(3)8-7(9)10-5-2/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyMWWHFPACIRAPEB-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-butan-2-ylcarbamate?
The IUPAC name of ethyl N-butan-2-ylcarbamate (CID 4135618) is ethyl N-butan-2-ylcarbamate.
What is the SMILES notation for ethyl N-butan-2-ylcarbamate?
The canonical SMILES for ethyl N-butan-2-ylcarbamate is CCOC(=O)NC(C)CC.
What is the InChIKey of ethyl N-butan-2-ylcarbamate?
The InChIKey is MWWHFPACIRAPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-6(3)8-7(9)10-5-2/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of ethyl N-butan-2-ylcarbamate?
ethyl N-butan-2-ylcarbamate has a molecular weight of 145.20 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-butan-2-ylcarbamate is sourced from PubChem (CID 4135618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).