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

C17H18ClNO3 — CID 134941820

IUPAC[1-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl] N-methylcarbamate
SMILESCNC(=O)OC(C)(c1ccc(Cl)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18ClNO3/c1-17(22-16(20)19-2,12-4-8-14(18)9-5-12)13-6-10-15(21-3)11-7-13/h4-11H,1-3H3,(H,19,20)
InChIKeySLUYBCQDXVIYIM-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.97
Rot. Bonds4

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

[1-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl] N-methylcarbamate (PubChem CID 134941820) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl] N-methylcarbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl] N-methylcarbamate
PubChem CID134941820
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name[1-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl] N-methylcarbamate
SMILESCNC(=O)OC(C)(c1ccc(Cl)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18ClNO3/c1-17(22-16(20)19-2,12-4-8-14(18)9-5-12)13-6-10-15(21-3)11-7-13/h4-11H,1-3H3,(H,19,20)
InChIKeySLUYBCQDXVIYIM-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl] N-methylcarbamate?
The IUPAC name of [1-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl] N-methylcarbamate (CID 134941820) is [1-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl] N-methylcarbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl] N-methylcarbamate?
The canonical SMILES for [1-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl] N-methylcarbamate is CNC(=O)OC(C)(c1ccc(Cl)cc1)c1ccc(OC)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl] N-methylcarbamate?
The InChIKey is SLUYBCQDXVIYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-17(22-16(20)19-2,12-4-8-14(18)9-5-12)13-6-10-15(21-3)11-7-13/h4-11H,1-3H3,(H,19,20).
What are the key properties of [1-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl] N-methylcarbamate?
[1-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl] N-methylcarbamate has a molecular weight of 319.79 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl] N-methylcarbamate is sourced from PubChem (CID 134941820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).