ethyl N-butylcarbamate

C7H15NO2 — CID 11577

IUPACethyl N-butylcarbamate
SMILESCCCCNC(=O)OCC
InChIInChI=1S/C7H15NO2/c1-3-5-6-8-7(9)10-4-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyBQBKYSPXQYHTIP-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.53
Rot. Bonds4

About ethyl N-butylcarbamate

ethyl N-butylcarbamate (PubChem CID 11577) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethyl N-butylcarbamate.

Molecular Properties

Compound Nameethyl N-butylcarbamate
PubChem CID11577
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethyl N-butylcarbamate
SMILESCCCCNC(=O)OCC
InChIInChI=1S/C7H15NO2/c1-3-5-6-8-7(9)10-4-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyBQBKYSPXQYHTIP-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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 ethyl N-butylcarbamate?
The IUPAC name of ethyl N-butylcarbamate (CID 11577) is ethyl N-butylcarbamate.
What is the SMILES notation for ethyl N-butylcarbamate?
The canonical SMILES for ethyl N-butylcarbamate is CCCCNC(=O)OCC.
What is the InChIKey of ethyl N-butylcarbamate?
The InChIKey is BQBKYSPXQYHTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-5-6-8-7(9)10-4-2/h3-6H2,1-2H3,(H,8,9).
What are the key properties of ethyl N-butylcarbamate?
ethyl N-butylcarbamate has a molecular weight of 145.20 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-butylcarbamate is sourced from PubChem (CID 11577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).