ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate

C17H19NO4 — CID 91682643

IUPACethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
SMILESCCOC(=O)c1ccc(OCc2cccnc2)c(OCC)c1
InChIInChI=1S/C17H19NO4/c1-3-20-16-10-14(17(19)21-4-2)7-8-15(16)22-12-13-6-5-9-18-11-13/h5-11H,3-4,12H2,1-2H3
InChIKeyZCWHYKOULSZCKK-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.24
Rot. Bonds7

About ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate

ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate (PubChem CID 91682643) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate.

Molecular Properties

Compound Nameethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
PubChem CID91682643
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Nameethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
SMILESCCOC(=O)c1ccc(OCc2cccnc2)c(OCC)c1
InChIInChI=1S/C17H19NO4/c1-3-20-16-10-14(17(19)21-4-2)7-8-15(16)22-12-13-6-5-9-18-11-13/h5-11H,3-4,12H2,1-2H3
InChIKeyZCWHYKOULSZCKK-UHFFFAOYSA-N
XLogP3.24
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
CID 91682546
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
ethyl 3,4-diethoxybenzoate
CID 586407
prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682612
(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119363379
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
(4-aminopiperidin-1-yl)-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119374059
3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide
CID 52663723
3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 71848488

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate?
The IUPAC name of ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate (CID 91682643) is ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate.
What is the SMILES notation for ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate?
The canonical SMILES for ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate is CCOC(=O)c1ccc(OCc2cccnc2)c(OCC)c1.
What is the InChIKey of ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate?
The InChIKey is ZCWHYKOULSZCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-20-16-10-14(17(19)21-4-2)7-8-15(16)22-12-13-6-5-9-18-11-13/h5-11H,3-4,12H2,1-2H3.
What are the key properties of ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate?
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate has a molecular weight of 301.34 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate is sourced from PubChem (CID 91682643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).