2-methylpropyl N,N-dibenzylcarbamate

C19H23NO2 — CID 68879080

IUPAC2-methylpropyl N,N-dibenzylcarbamate
SMILESCC(C)COC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-16(2)15-22-19(21)20(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3
InChIKeyLJHBMKIDADLCHL-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.48
Rot. Bonds6

About 2-methylpropyl N,N-dibenzylcarbamate

2-methylpropyl N,N-dibenzylcarbamate (PubChem CID 68879080) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methylpropyl N,N-dibenzylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N,N-dibenzylcarbamate
PubChem CID68879080
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-methylpropyl N,N-dibenzylcarbamate
SMILESCC(C)COC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-16(2)15-22-19(21)20(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3
InChIKeyLJHBMKIDADLCHL-UHFFFAOYSA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N,N-dibenzylcarbamate?
The IUPAC name of 2-methylpropyl N,N-dibenzylcarbamate (CID 68879080) is 2-methylpropyl N,N-dibenzylcarbamate.
What is the SMILES notation for 2-methylpropyl N,N-dibenzylcarbamate?
The canonical SMILES for 2-methylpropyl N,N-dibenzylcarbamate is CC(C)COC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-methylpropyl N,N-dibenzylcarbamate?
The InChIKey is LJHBMKIDADLCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-16(2)15-22-19(21)20(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3.
What are the key properties of 2-methylpropyl N,N-dibenzylcarbamate?
2-methylpropyl N,N-dibenzylcarbamate has a molecular weight of 297.40 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N,N-dibenzylcarbamate is sourced from PubChem (CID 68879080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).