[1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate

C17H18ClNO2 — CID 134941816

IUPAC[1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate
SMILESCNC(=O)OC(C)(c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-12-4-6-13(7-5-12)17(2,21-16(20)19-3)14-8-10-15(18)11-9-14/h4-11H,1-3H3,(H,19,20)
InChIKeyKODVIMVMQDKWPB-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.27
Rot. Bonds3

About [1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate

[1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate (PubChem CID 134941816) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate
PubChem CID134941816
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name[1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate
SMILESCNC(=O)OC(C)(c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-12-4-6-13(7-5-12)17(2,21-16(20)19-3)14-8-10-15(18)11-9-14/h4-11H,1-3H3,(H,19,20)
InChIKeyKODVIMVMQDKWPB-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate?
The IUPAC name of [1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate (CID 134941816) is [1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate?
The canonical SMILES for [1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate is CNC(=O)OC(C)(c1ccc(C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate?
The InChIKey is KODVIMVMQDKWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12-4-6-13(7-5-12)17(2,21-16(20)19-3)14-8-10-15(18)11-9-14/h4-11H,1-3H3,(H,19,20).
What are the key properties of [1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate?
[1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate has a molecular weight of 303.79 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate is sourced from PubChem (CID 134941816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).