1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate

C20H27NO4 — CID 143474444

IUPAC1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate
SMILESCCCOC.CCc1ccc(OCc2cccc(C(=O)OC)n2)cc1
InChIInChI=1S/C16H17NO3.C4H10O/c1-3-12-7-9-14(10-8-12)20-11-13-5-4-6-15(17-13)16(18)19-2;1-3-4-5-2/h4-10H,3,11H2,1-2H3;3-4H2,1-2H3
InChIKeyNLKWZSQEXBGCGM-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.05
Rot. Bonds7

About 1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate

1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate (PubChem CID 143474444) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Name1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate
PubChem CID143474444
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate
SMILESCCCOC.CCc1ccc(OCc2cccc(C(=O)OC)n2)cc1
InChIInChI=1S/C16H17NO3.C4H10O/c1-3-12-7-9-14(10-8-12)20-11-13-5-4-6-15(17-13)16(18)19-2;1-3-4-5-2/h4-10H,3,11H2,1-2H3;3-4H2,1-2H3
InChIKeyNLKWZSQEXBGCGM-UHFFFAOYSA-N
XLogP4.05
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate?
The IUPAC name of 1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate (CID 143474444) is 1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate.
What is the SMILES notation for 1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate?
The canonical SMILES for 1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate is CCCOC.CCc1ccc(OCc2cccc(C(=O)OC)n2)cc1.
What is the InChIKey of 1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate?
The InChIKey is NLKWZSQEXBGCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3.C4H10O/c1-3-12-7-9-14(10-8-12)20-11-13-5-4-6-15(17-13)16(18)19-2;1-3-4-5-2/h4-10H,3,11H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate?
1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 143474444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).