3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

C22H25NO3 — CID 46518741

IUPAC3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1CCCC2)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C22H25NO3/c24-22(23-21-12-4-7-16-6-1-2-11-20(16)21)17-8-3-9-18(14-17)26-15-19-10-5-13-25-19/h3-4,7-9,12,14,19H,1-2,5-6,10-11,13,15H2,(H,23,24)
InChIKeyKPTWQPLADVYSLH-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.38
Rot. Bonds5

About 3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 46518741) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
PubChem CID46518741
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1CCCC2)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C22H25NO3/c24-22(23-21-12-4-7-16-6-1-2-11-20(16)21)17-8-3-9-18(14-17)26-15-19-10-5-13-25-19/h3-4,7-9,12,14,19H,1-2,5-6,10-11,13,15H2,(H,23,24)
InChIKeyKPTWQPLADVYSLH-UHFFFAOYSA-N
XLogP4.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119421992
N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 30798336
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119618105
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 42939966
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
N-(3-hydroxy-2-pyridinyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30469054
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 78881332
N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 42427203
3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 134004359

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (CID 46518741) is 3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is O=C(Nc1cccc2c1CCCC2)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of 3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is KPTWQPLADVYSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c24-22(23-21-12-4-7-16-6-1-2-11-20(16)21)17-8-3-9-18(14-17)26-15-19-10-5-13-25-19/h3-4,7-9,12,14,19H,1-2,5-6,10-11,13,15H2,(H,23,24).
What are the key properties of 3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 46518741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).