2-methylpropyl N-benzyl-N-ethylcarbamate

C14H21NO2 — CID 91045083

IUPAC2-methylpropyl N-benzyl-N-ethylcarbamate
SMILESCCN(Cc1ccccc1)C(=O)OCC(C)C
InChIInChI=1S/C14H21NO2/c1-4-15(14(16)17-11-12(2)3)10-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyDFWIQHQSFYOLPV-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.30
Rot. Bonds5

About 2-methylpropyl N-benzyl-N-ethylcarbamate

2-methylpropyl N-benzyl-N-ethylcarbamate (PubChem CID 91045083) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methylpropyl N-benzyl-N-ethylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-benzyl-N-ethylcarbamate
PubChem CID91045083
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methylpropyl N-benzyl-N-ethylcarbamate
SMILESCCN(Cc1ccccc1)C(=O)OCC(C)C
InChIInChI=1S/C14H21NO2/c1-4-15(14(16)17-11-12(2)3)10-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyDFWIQHQSFYOLPV-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-benzyl-N-ethylcarbamate?
The IUPAC name of 2-methylpropyl N-benzyl-N-ethylcarbamate (CID 91045083) is 2-methylpropyl N-benzyl-N-ethylcarbamate.
What is the SMILES notation for 2-methylpropyl N-benzyl-N-ethylcarbamate?
The canonical SMILES for 2-methylpropyl N-benzyl-N-ethylcarbamate is CCN(Cc1ccccc1)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-benzyl-N-ethylcarbamate?
The InChIKey is DFWIQHQSFYOLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15(14(16)17-11-12(2)3)10-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of 2-methylpropyl N-benzyl-N-ethylcarbamate?
2-methylpropyl N-benzyl-N-ethylcarbamate has a molecular weight of 235.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-benzyl-N-ethylcarbamate is sourced from PubChem (CID 91045083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).