(4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate

C20H18N2O3 — CID 102223125

IUPAC(4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate
SMILESCOc1ccc(COC(=O)Nc2ccccc2-c2ccccn2)cc1
InChIInChI=1S/C20H18N2O3/c1-24-16-11-9-15(10-12-16)14-25-20(23)22-19-8-3-2-6-17(19)18-7-4-5-13-21-18/h2-13H,14H2,1H3,(H,22,23)
InChIKeyLRMKPXDJHUOMOR-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.51
Rot. Bonds5

About (4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate

(4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate (PubChem CID 102223125) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate
PubChem CID102223125
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name(4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate
SMILESCOc1ccc(COC(=O)Nc2ccccc2-c2ccccn2)cc1
InChIInChI=1S/C20H18N2O3/c1-24-16-11-9-15(10-12-16)14-25-20(23)22-19-8-3-2-6-17(19)18-7-4-5-13-21-18/h2-13H,14H2,1H3,(H,22,23)
InChIKeyLRMKPXDJHUOMOR-UHFFFAOYSA-N
XLogP4.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
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benzyl N-[2-(2-aminonaphthalen-1-yl)-4-methoxyphenyl]carbamate
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benzyl N-(3-methoxynaphthalen-1-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate (CID 102223125) is (4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate is COc1ccc(COC(=O)Nc2ccccc2-c2ccccn2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate?
The InChIKey is LRMKPXDJHUOMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-24-16-11-9-15(10-12-16)14-25-20(23)22-19-8-3-2-6-17(19)18-7-4-5-13-21-18/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of (4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate?
(4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate has a molecular weight of 334.38 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-(2-pyridin-2-ylphenyl)carbamate is sourced from PubChem (CID 102223125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).