3-[2-(oxan-2-yloxy)phenyl]benzamide

C18H19NO3 — CID 139985534

IUPAC3-[2-(oxan-2-yloxy)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccccc2OC2CCCCO2)c1
InChIInChI=1S/C18H19NO3/c19-18(20)14-7-5-6-13(12-14)15-8-1-2-9-16(15)22-17-10-3-4-11-21-17/h1-2,5-9,12,17H,3-4,10-11H2,(H2,19,20)
InChIKeyABJLEZKXWZRENQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.36
Rot. Bonds4

About 3-[2-(oxan-2-yloxy)phenyl]benzamide

3-[2-(oxan-2-yloxy)phenyl]benzamide (PubChem CID 139985534) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-[2-(oxan-2-yloxy)phenyl]benzamide.

Molecular Properties

Compound Name3-[2-(oxan-2-yloxy)phenyl]benzamide
PubChem CID139985534
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-[2-(oxan-2-yloxy)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccccc2OC2CCCCO2)c1
InChIInChI=1S/C18H19NO3/c19-18(20)14-7-5-6-13(12-14)15-8-1-2-9-16(15)22-17-10-3-4-11-21-17/h1-2,5-9,12,17H,3-4,10-11H2,(H2,19,20)
InChIKeyABJLEZKXWZRENQ-UHFFFAOYSA-N
XLogP3.36
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(oxan-2-yloxy)phenyl]benzamide
CID 139985514
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
2-(oxetan-2-yloxy)benzamide
CID 172814860
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
[3-(3-carbamoylphenyl)-2-fluorophenyl] 4-cyclohexylbutanoate
CID 123200675
3-(2-methoxyphenyl)benzoic acid
CID 2759547
2-(2-ethenylphenoxy)oxecane
CID 139905565
2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
CID 140985567
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
bis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane
CID 102412144
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one
CID 86651374

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-2-yloxy)phenyl]benzamide?
The IUPAC name of 3-[2-(oxan-2-yloxy)phenyl]benzamide (CID 139985534) is 3-[2-(oxan-2-yloxy)phenyl]benzamide.
What is the SMILES notation for 3-[2-(oxan-2-yloxy)phenyl]benzamide?
The canonical SMILES for 3-[2-(oxan-2-yloxy)phenyl]benzamide is NC(=O)c1cccc(-c2ccccc2OC2CCCCO2)c1.
What is the InChIKey of 3-[2-(oxan-2-yloxy)phenyl]benzamide?
The InChIKey is ABJLEZKXWZRENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c19-18(20)14-7-5-6-13(12-14)15-8-1-2-9-16(15)22-17-10-3-4-11-21-17/h1-2,5-9,12,17H,3-4,10-11H2,(H2,19,20).
What are the key properties of 3-[2-(oxan-2-yloxy)phenyl]benzamide?
3-[2-(oxan-2-yloxy)phenyl]benzamide has a molecular weight of 297.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-2-yloxy)phenyl]benzamide is sourced from PubChem (CID 139985534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).