(3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate

C16H18N2O4 — CID 13387589

IUPAC(3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
SMILESCCOc1cccc(OC(=O)N(C)c2cccc(OC)n2)c1
InChIInChI=1S/C16H18N2O4/c1-4-21-12-7-5-8-13(11-12)22-16(19)18(2)14-9-6-10-15(17-14)20-3/h5-11H,4H2,1-3H3
InChIKeyTZJSFOXFJAIVKF-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.12
Rot. Bonds5

About (3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate

(3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate (PubChem CID 13387589) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Name(3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
PubChem CID13387589
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
SMILESCCOc1cccc(OC(=O)N(C)c2cccc(OC)n2)c1
InChIInChI=1S/C16H18N2O4/c1-4-21-12-7-5-8-13(11-12)22-16(19)18(2)14-9-6-10-15(17-14)20-3/h5-11H,4H2,1-3H3
InChIKeyTZJSFOXFJAIVKF-UHFFFAOYSA-N
XLogP3.12
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The IUPAC name of (3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate (CID 13387589) is (3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for (3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The canonical SMILES for (3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate is CCOc1cccc(OC(=O)N(C)c2cccc(OC)n2)c1.
What is the InChIKey of (3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The InChIKey is TZJSFOXFJAIVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-4-21-12-7-5-8-13(11-12)22-16(19)18(2)14-9-6-10-15(17-14)20-3/h5-11H,4H2,1-3H3.
What are the key properties of (3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
(3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate has a molecular weight of 302.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 13387589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).