3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide

C20H24N2O4 — CID 46584168

IUPAC3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC2CCCO2)ccc1OCc1cccnc1
InChIInChI=1S/C20H24N2O4/c1-2-24-19-11-16(20(23)22-13-17-6-4-10-25-17)7-8-18(19)26-14-15-5-3-9-21-12-15/h3,5,7-9,11-12,17H,2,4,6,10,13-14H2,1H3,(H,22,23)
InChIKeyXRLKGVBIXWBQFE-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.97
Rot. Bonds8

About 3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide

3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 46584168) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID46584168
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC2CCCO2)ccc1OCc1cccnc1
InChIInChI=1S/C20H24N2O4/c1-2-24-19-11-16(20(23)22-13-17-6-4-10-25-17)7-8-18(19)26-14-15-5-3-9-21-12-15/h3,5,7-9,11-12,17H,2,4,6,10,13-14H2,1H3,(H,22,23)
InChIKeyXRLKGVBIXWBQFE-UHFFFAOYSA-N
XLogP2.97
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46581199
N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55853763
3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
4-ethoxy-3-(methoxymethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 133254195
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
4-ethoxy-3-(ethoxymethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 133149981
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 86972106
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119450928
3-ethoxy-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55682964
4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide
CID 133238905
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55578633

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide (CID 46584168) is 3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)NCC2CCCO2)ccc1OCc1cccnc1.
What is the InChIKey of 3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is XRLKGVBIXWBQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-24-19-11-16(20(23)22-13-17-6-4-10-25-17)7-8-18(19)26-14-15-5-3-9-21-12-15/h3,5,7-9,11-12,17H,2,4,6,10,13-14H2,1H3,(H,22,23).
What are the key properties of 3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide?
3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 356.42 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 46584168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).