(2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate

C16H18N2O3 — CID 67587850

IUPAC(2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate
SMILESCOc1c(C)cccc1COC(=O)N(C)c1ccccn1
InChIInChI=1S/C16H18N2O3/c1-12-7-6-8-13(15(12)20-3)11-21-16(19)18(2)14-9-4-5-10-17-14/h4-10H,11H2,1-3H3
InChIKeyFHYWBXGHZZYDJM-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.17
Rot. Bonds4

About (2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate

(2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate (PubChem CID 67587850) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate.

Molecular Properties

Compound Name(2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate
PubChem CID67587850
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate
SMILESCOc1c(C)cccc1COC(=O)N(C)c1ccccn1
InChIInChI=1S/C16H18N2O3/c1-12-7-6-8-13(15(12)20-3)11-21-16(19)18(2)14-9-4-5-10-17-14/h4-10H,11H2,1-3H3
InChIKeyFHYWBXGHZZYDJM-UHFFFAOYSA-N
XLogP3.17
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate?
The IUPAC name of (2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate (CID 67587850) is (2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate.
What is the SMILES notation for (2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate?
The canonical SMILES for (2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate is COc1c(C)cccc1COC(=O)N(C)c1ccccn1.
What is the InChIKey of (2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate?
The InChIKey is FHYWBXGHZZYDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-7-6-8-13(15(12)20-3)11-21-16(19)18(2)14-9-4-5-10-17-14/h4-10H,11H2,1-3H3.
What are the key properties of (2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate?
(2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate has a molecular weight of 286.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-methylphenyl)methyl N-methyl-N-pyridin-2-ylcarbamate is sourced from PubChem (CID 67587850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).