benzyl N-benzyl-N-ethenylcarbamate

C17H17NO2 — CID 14919277

IUPACbenzyl N-benzyl-N-ethenylcarbamate
SMILESC=CN(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-18(13-15-9-5-3-6-10-15)17(19)20-14-16-11-7-4-8-12-16/h2-12H,1,13-14H2
InChIKeyVVHUOEXSWIHSKU-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.97
Rot. Bonds5

About benzyl N-benzyl-N-ethenylcarbamate

benzyl N-benzyl-N-ethenylcarbamate (PubChem CID 14919277) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is benzyl N-benzyl-N-ethenylcarbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-ethenylcarbamate
PubChem CID14919277
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namebenzyl N-benzyl-N-ethenylcarbamate
SMILESC=CN(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-18(13-15-9-5-3-6-10-15)17(19)20-14-16-11-7-4-8-12-16/h2-12H,1,13-14H2
InChIKeyVVHUOEXSWIHSKU-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-ethenylcarbamate?
The IUPAC name of benzyl N-benzyl-N-ethenylcarbamate (CID 14919277) is benzyl N-benzyl-N-ethenylcarbamate.
What is the SMILES notation for benzyl N-benzyl-N-ethenylcarbamate?
The canonical SMILES for benzyl N-benzyl-N-ethenylcarbamate is C=CN(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-benzyl-N-ethenylcarbamate?
The InChIKey is VVHUOEXSWIHSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-18(13-15-9-5-3-6-10-15)17(19)20-14-16-11-7-4-8-12-16/h2-12H,1,13-14H2.
What are the key properties of benzyl N-benzyl-N-ethenylcarbamate?
benzyl N-benzyl-N-ethenylcarbamate has a molecular weight of 267.33 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzyl-N-ethenylcarbamate is sourced from PubChem (CID 14919277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).