benzyl N-(2-ethyl-5-methylphenyl)carbamate

C17H19NO2 — CID 174585145

IUPACbenzyl N-(2-ethyl-5-methylphenyl)carbamate
SMILESCCc1ccc(C)cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO2/c1-3-15-10-9-13(2)11-16(15)18-17(19)20-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyYJQABKFFZCYSJP-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.31
Rot. Bonds4

About benzyl N-(2-ethyl-5-methylphenyl)carbamate

benzyl N-(2-ethyl-5-methylphenyl)carbamate (PubChem CID 174585145) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is benzyl N-(2-ethyl-5-methylphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-ethyl-5-methylphenyl)carbamate
PubChem CID174585145
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namebenzyl N-(2-ethyl-5-methylphenyl)carbamate
SMILESCCc1ccc(C)cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO2/c1-3-15-10-9-13(2)11-16(15)18-17(19)20-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyYJQABKFFZCYSJP-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate
CID 67136159
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
benzyl N-[1-(2,5-dimethylanilino)-1-oxopropan-2-yl]carbamate
CID 23822673
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate
CID 70462844
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate
CID 4860708
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-(4-methylphenyl)sulfanylcarbamate
CID 176654610
benzyl N-[3-(2,4-dimethylphenyl)-5-ethyl-1H-pyrazol-4-yl]carbamate
CID 42874075
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-ethyl-5-methylphenyl)carbamate?
The IUPAC name of benzyl N-(2-ethyl-5-methylphenyl)carbamate (CID 174585145) is benzyl N-(2-ethyl-5-methylphenyl)carbamate.
What is the SMILES notation for benzyl N-(2-ethyl-5-methylphenyl)carbamate?
The canonical SMILES for benzyl N-(2-ethyl-5-methylphenyl)carbamate is CCc1ccc(C)cc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-ethyl-5-methylphenyl)carbamate?
The InChIKey is YJQABKFFZCYSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-15-10-9-13(2)11-16(15)18-17(19)20-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,18,19).
What are the key properties of benzyl N-(2-ethyl-5-methylphenyl)carbamate?
benzyl N-(2-ethyl-5-methylphenyl)carbamate has a molecular weight of 269.34 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-ethyl-5-methylphenyl)carbamate is sourced from PubChem (CID 174585145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).