ethyl N-benzyl-N-(3-methylbutyl)carbamate

C15H23NO2 — CID 59224253

IUPACethyl N-benzyl-N-(3-methylbutyl)carbamate
SMILESCCOC(=O)N(CCC(C)C)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-18-15(17)16(11-10-13(2)3)12-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyDHXJBQMJTKADLW-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.69
Rot. Bonds6

About ethyl N-benzyl-N-(3-methylbutyl)carbamate

ethyl N-benzyl-N-(3-methylbutyl)carbamate (PubChem CID 59224253) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl N-benzyl-N-(3-methylbutyl)carbamate.

Molecular Properties

Compound Nameethyl N-benzyl-N-(3-methylbutyl)carbamate
PubChem CID59224253
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl N-benzyl-N-(3-methylbutyl)carbamate
SMILESCCOC(=O)N(CCC(C)C)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-18-15(17)16(11-10-13(2)3)12-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyDHXJBQMJTKADLW-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-benzyl-N-(3-methylbutyl)carbamate?
The IUPAC name of ethyl N-benzyl-N-(3-methylbutyl)carbamate (CID 59224253) is ethyl N-benzyl-N-(3-methylbutyl)carbamate.
What is the SMILES notation for ethyl N-benzyl-N-(3-methylbutyl)carbamate?
The canonical SMILES for ethyl N-benzyl-N-(3-methylbutyl)carbamate is CCOC(=O)N(CCC(C)C)Cc1ccccc1.
What is the InChIKey of ethyl N-benzyl-N-(3-methylbutyl)carbamate?
The InChIKey is DHXJBQMJTKADLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-18-15(17)16(11-10-13(2)3)12-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3.
What are the key properties of ethyl N-benzyl-N-(3-methylbutyl)carbamate?
ethyl N-benzyl-N-(3-methylbutyl)carbamate has a molecular weight of 249.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-benzyl-N-(3-methylbutyl)carbamate is sourced from PubChem (CID 59224253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).