benzyl N-[2-(4-ethylphenyl)ethyl]carbamate

C18H21NO2 — CID 90974027

IUPACbenzyl N-[2-(4-ethylphenyl)ethyl]carbamate
SMILESCCc1ccc(CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-2-15-8-10-16(11-9-15)12-13-19-18(20)21-14-17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,19,20)
InChIKeyRARZKPXBKKMHLU-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.72
Rot. Bonds6

About benzyl N-[2-(4-ethylphenyl)ethyl]carbamate

benzyl N-[2-(4-ethylphenyl)ethyl]carbamate (PubChem CID 90974027) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is benzyl N-[2-(4-ethylphenyl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(4-ethylphenyl)ethyl]carbamate
PubChem CID90974027
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namebenzyl N-[2-(4-ethylphenyl)ethyl]carbamate
SMILESCCc1ccc(CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-2-15-8-10-16(11-9-15)12-13-19-18(20)21-14-17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,19,20)
InChIKeyRARZKPXBKKMHLU-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
benzyl N-[2-(4-ethynylphenyl)ethyl]carbamate
CID 138986465
(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 162509952
benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
CID 161469953
methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 175662966
2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
CID 95452896
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 14018351
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(4-ethylphenyl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(4-ethylphenyl)ethyl]carbamate (CID 90974027) is benzyl N-[2-(4-ethylphenyl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(4-ethylphenyl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(4-ethylphenyl)ethyl]carbamate is CCc1ccc(CCNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[2-(4-ethylphenyl)ethyl]carbamate?
The InChIKey is RARZKPXBKKMHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-15-8-10-16(11-9-15)12-13-19-18(20)21-14-17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,19,20).
What are the key properties of benzyl N-[2-(4-ethylphenyl)ethyl]carbamate?
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate has a molecular weight of 283.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(4-ethylphenyl)ethyl]carbamate is sourced from PubChem (CID 90974027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).