(4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate

C17H20N2O3 — CID 13363632

IUPAC(4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
SMILESCCc1ccc(OC(=O)N(C)c2cccc(OC)n2)cc1C
InChIInChI=1S/C17H20N2O3/c1-5-13-9-10-14(11-12(13)2)22-17(20)19(3)15-7-6-8-16(18-15)21-4/h6-11H,5H2,1-4H3
InChIKeyOXZQIODIIMWBDP-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.60
Rot. Bonds4

About (4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate

(4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate (PubChem CID 13363632) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Name(4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
PubChem CID13363632
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
SMILESCCc1ccc(OC(=O)N(C)c2cccc(OC)n2)cc1C
InChIInChI=1S/C17H20N2O3/c1-5-13-9-10-14(11-12(13)2)22-17(20)19(3)15-7-6-8-16(18-15)21-4/h6-11H,5H2,1-4H3
InChIKeyOXZQIODIIMWBDP-UHFFFAOYSA-N
XLogP3.60
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The IUPAC name of (4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate (CID 13363632) is (4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for (4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The canonical SMILES for (4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate is CCc1ccc(OC(=O)N(C)c2cccc(OC)n2)cc1C.
What is the InChIKey of (4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The InChIKey is OXZQIODIIMWBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-5-13-9-10-14(11-12(13)2)22-17(20)19(3)15-7-6-8-16(18-15)21-4/h6-11H,5H2,1-4H3.
What are the key properties of (4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
(4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate has a molecular weight of 300.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 13363632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).