(4-ethylphenyl) N-methyl-N-phenylcarbamate

C16H17NO2 — CID 91395090

IUPAC(4-ethylphenyl) N-methyl-N-phenylcarbamate
SMILESCCc1ccc(OC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-3-13-9-11-15(12-10-13)19-16(18)17(2)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyOGCHLXAZNUNCPD-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.88
Rot. Bonds3

About (4-ethylphenyl) N-methyl-N-phenylcarbamate

(4-ethylphenyl) N-methyl-N-phenylcarbamate (PubChem CID 91395090) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (4-ethylphenyl) N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name(4-ethylphenyl) N-methyl-N-phenylcarbamate
PubChem CID91395090
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(4-ethylphenyl) N-methyl-N-phenylcarbamate
SMILESCCc1ccc(OC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-3-13-9-11-15(12-10-13)19-16(18)17(2)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyOGCHLXAZNUNCPD-UHFFFAOYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate
CID 10022032
[4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate
CID 90862330
phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate
CID 75384450
(4-ethylphenyl) (4-phenylphenyl) carbonate
CID 118690250
bis(4-ethylphenyl) carbonate;carbonic acid
CID 159757999
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136
(4-benzylphenyl) N,N-diethylcarbamate
CID 22414998
methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate
CID 71541824
phenyl 2-(4-ethylphenoxy)acetate
CID 19178986
(4-ethylphenyl) 2,2-diphenylacetate
CID 1226572
4-[[2-(4-ethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230188
[4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate
CID 91520177

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl) N-methyl-N-phenylcarbamate?
The IUPAC name of (4-ethylphenyl) N-methyl-N-phenylcarbamate (CID 91395090) is (4-ethylphenyl) N-methyl-N-phenylcarbamate.
What is the SMILES notation for (4-ethylphenyl) N-methyl-N-phenylcarbamate?
The canonical SMILES for (4-ethylphenyl) N-methyl-N-phenylcarbamate is CCc1ccc(OC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of (4-ethylphenyl) N-methyl-N-phenylcarbamate?
The InChIKey is OGCHLXAZNUNCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-13-9-11-15(12-10-13)19-16(18)17(2)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3.
What are the key properties of (4-ethylphenyl) N-methyl-N-phenylcarbamate?
(4-ethylphenyl) N-methyl-N-phenylcarbamate has a molecular weight of 255.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl) N-methyl-N-phenylcarbamate is sourced from PubChem (CID 91395090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).