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

C18H20N2O3 — CID 43044153

IUPAC3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C18H20N2O3/c21-18(20-12-14-4-2-8-19-11-14)15-5-1-6-16(10-15)23-13-17-7-3-9-22-17/h1-2,4-6,8,10-11,17H,3,7,9,12-13H2,(H,20,21)
InChIKeyPTBZDRQEUSNNKM-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.57
Rot. Bonds6

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

3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 43044153) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID43044153
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C18H20N2O3/c21-18(20-12-14-4-2-8-19-11-14)15-5-1-6-16(10-15)23-13-17-7-3-9-22-17/h1-2,4-6,8,10-11,17H,3,7,9,12-13H2,(H,20,21)
InChIKeyPTBZDRQEUSNNKM-UHFFFAOYSA-N
XLogP2.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
3-(oxolan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 43044159
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 136576509
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 95781316
3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 94023247
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 42939966
N-(3-hydroxy-2-pyridinyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30469054
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
1-tert-butyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 51122526
N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 119619503
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide (CID 43044153) is 3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of 3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is PTBZDRQEUSNNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-18(20-12-14-4-2-8-19-11-14)15-5-1-6-16(10-15)23-13-17-7-3-9-22-17/h1-2,4-6,8,10-11,17H,3,7,9,12-13H2,(H,20,21).
What are the key properties of 3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide?
3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 43044153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).