[5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate

C20H18N2O4 — CID 142667849

IUPAC[5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate
SMILESCOc1ccc(Oc2ccc(OC(=O)N(C)c3ccccc3)nc2)cc1
InChIInChI=1S/C20H18N2O4/c1-22(15-6-4-3-5-7-15)20(23)26-19-13-12-18(14-21-19)25-17-10-8-16(24-2)9-11-17/h3-14H,1-2H3
InChIKeyVCFCEHVBTTVPRZ-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.52
Rot. Bonds5

About [5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate

[5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate (PubChem CID 142667849) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name[5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate
PubChem CID142667849
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate
SMILESCOc1ccc(Oc2ccc(OC(=O)N(C)c3ccccc3)nc2)cc1
InChIInChI=1S/C20H18N2O4/c1-22(15-6-4-3-5-7-15)20(23)26-19-13-12-18(14-21-19)25-17-10-8-16(24-2)9-11-17/h3-14H,1-2H3
InChIKeyVCFCEHVBTTVPRZ-UHFFFAOYSA-N
XLogP4.52
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2-methoxybenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11474370
(4,6-dimethyl-2-pyridinyl) N-methyl-N-phenylcarbamate
CID 142667852
[5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11393718
[5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11439286
[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11316000
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
methyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate
CID 23177300
2-[(5-methoxy-2-pyridinyl)oxy]acetic acid
CID 106504767
(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate
CID 10022032
[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2365643
2,5-dimethoxy-N-methyl-N-phenylbenzamide
CID 16849123

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate?
The IUPAC name of [5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate (CID 142667849) is [5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate.
What is the SMILES notation for [5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate?
The canonical SMILES for [5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate is COc1ccc(Oc2ccc(OC(=O)N(C)c3ccccc3)nc2)cc1.
What is the InChIKey of [5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate?
The InChIKey is VCFCEHVBTTVPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-22(15-6-4-3-5-7-15)20(23)26-19-13-12-18(14-21-19)25-17-10-8-16(24-2)9-11-17/h3-14H,1-2H3.
What are the key properties of [5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate?
[5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate has a molecular weight of 350.37 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate is sourced from PubChem (CID 142667849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).