benzyl N-(4-ethylphenyl)carbamate

C16H17NO2 — CID 11253848

IUPACbenzyl N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-2-13-8-10-15(11-9-13)17-16(18)19-12-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,17,18)
InChIKeyKPSYLGSZZLYNGM-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.00
Rot. Bonds4

About benzyl N-(4-ethylphenyl)carbamate

benzyl N-(4-ethylphenyl)carbamate (PubChem CID 11253848) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is benzyl N-(4-ethylphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-ethylphenyl)carbamate
PubChem CID11253848
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namebenzyl N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-2-13-8-10-15(11-9-13)17-16(18)19-12-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,17,18)
InChIKeyKPSYLGSZZLYNGM-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-ethylphenyl)carbamate?
The IUPAC name of benzyl N-(4-ethylphenyl)carbamate (CID 11253848) is benzyl N-(4-ethylphenyl)carbamate.
What is the SMILES notation for benzyl N-(4-ethylphenyl)carbamate?
The canonical SMILES for benzyl N-(4-ethylphenyl)carbamate is CCc1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-(4-ethylphenyl)carbamate?
The InChIKey is KPSYLGSZZLYNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-13-8-10-15(11-9-13)17-16(18)19-12-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,17,18).
What are the key properties of benzyl N-(4-ethylphenyl)carbamate?
benzyl N-(4-ethylphenyl)carbamate has a molecular weight of 255.32 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-ethylphenyl)carbamate is sourced from PubChem (CID 11253848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).