benzene;ethyl N-benzylcarbamate

C16H19NO2 — CID 67715166

IUPACbenzene;ethyl N-benzylcarbamate
SMILESCCOC(=O)NCc1ccccc1.c1ccccc1
InChIInChI=1S/C10H13NO2.C6H6/c1-2-13-10(12)11-8-9-6-4-3-5-7-9;1-2-4-6-5-3-1/h3-7H,2,8H2,1H3,(H,11,12);1-6H
InChIKeyLXGBMEBQTDXGND-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.62
Rot. Bonds3

About benzene;ethyl N-benzylcarbamate

benzene;ethyl N-benzylcarbamate (PubChem CID 67715166) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is benzene;ethyl N-benzylcarbamate.

Molecular Properties

Compound Namebenzene;ethyl N-benzylcarbamate
PubChem CID67715166
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namebenzene;ethyl N-benzylcarbamate
SMILESCCOC(=O)NCc1ccccc1.c1ccccc1
InChIInChI=1S/C10H13NO2.C6H6/c1-2-13-10(12)11-8-9-6-4-3-5-7-9;1-2-4-6-5-3-1/h3-7H,2,8H2,1H3,(H,11,12);1-6H
InChIKeyLXGBMEBQTDXGND-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
ethyl N-(benzylcarbamoyl)carbamate
CID 2748727
[2-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamic acid
CID 175218190
ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
CID 142192151
(E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide
CID 135040365
ethyl N-[[4-[1-hydroxy-1-(methylamino)-3-phenylpropyl]phenyl]methyl]carbamate
CID 150783434
(3-ethylphenyl)methyl N-benzylcarbamate
CID 174484716
ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 53344986
ethyl N-[(4-carbamothioylphenyl)methyl]carbamate
CID 62311623
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
CID 161469953
ethyl N-[2,2-bis(benzylamino)-1-cyanoethenyl]carbamate
CID 3111963

Frequently Asked Questions

What is the IUPAC name of benzene;ethyl N-benzylcarbamate?
The IUPAC name of benzene;ethyl N-benzylcarbamate (CID 67715166) is benzene;ethyl N-benzylcarbamate.
What is the SMILES notation for benzene;ethyl N-benzylcarbamate?
The canonical SMILES for benzene;ethyl N-benzylcarbamate is CCOC(=O)NCc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethyl N-benzylcarbamate?
The InChIKey is LXGBMEBQTDXGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C6H6/c1-2-13-10(12)11-8-9-6-4-3-5-7-9;1-2-4-6-5-3-1/h3-7H,2,8H2,1H3,(H,11,12);1-6H.
What are the key properties of benzene;ethyl N-benzylcarbamate?
benzene;ethyl N-benzylcarbamate has a molecular weight of 257.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethyl N-benzylcarbamate is sourced from PubChem (CID 67715166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).