benzyl N-benzyl-N-ethylcarbamate

C17H19NO2 — CID 70968693

IUPACbenzyl N-benzyl-N-ethylcarbamate
SMILESCCN(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-18(13-15-9-5-3-6-10-15)17(19)20-14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeySYDHEBPARYQNKU-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.85
Rot. Bonds5

About benzyl N-benzyl-N-ethylcarbamate

benzyl N-benzyl-N-ethylcarbamate (PubChem CID 70968693) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is benzyl N-benzyl-N-ethylcarbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-ethylcarbamate
PubChem CID70968693
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namebenzyl N-benzyl-N-ethylcarbamate
SMILESCCN(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-18(13-15-9-5-3-6-10-15)17(19)20-14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeySYDHEBPARYQNKU-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
benzyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 70700680
benzyl N-(2-amino-2-sulfanylideneethyl)-N-ethylcarbamate
CID 14023637
benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate
CID 139796649
(methoxycarbonylamino) N-benzyl-N-ethylcarbamate
CID 21389979
benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 130159213
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861

Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-ethylcarbamate?
The IUPAC name of benzyl N-benzyl-N-ethylcarbamate (CID 70968693) is benzyl N-benzyl-N-ethylcarbamate.
What is the SMILES notation for benzyl N-benzyl-N-ethylcarbamate?
The canonical SMILES for benzyl N-benzyl-N-ethylcarbamate is CCN(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-benzyl-N-ethylcarbamate?
The InChIKey is SYDHEBPARYQNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-18(13-15-9-5-3-6-10-15)17(19)20-14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3.
What are the key properties of benzyl N-benzyl-N-ethylcarbamate?
benzyl N-benzyl-N-ethylcarbamate has a molecular weight of 269.34 g/mol, XLogP of 3.85, 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-ethylcarbamate is sourced from PubChem (CID 70968693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).