4-[3-(oxan-2-yloxy)phenyl]benzamide

C18H19NO3 — CID 139985514

IUPAC4-[3-(oxan-2-yloxy)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc(OC3CCCCO3)c2)cc1
InChIInChI=1S/C18H19NO3/c19-18(20)14-9-7-13(8-10-14)15-4-3-5-16(12-15)22-17-6-1-2-11-21-17/h3-5,7-10,12,17H,1-2,6,11H2,(H2,19,20)
InChIKeyUYOCUEXPZZBBIL-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.36
Rot. Bonds4

About 4-[3-(oxan-2-yloxy)phenyl]benzamide

4-[3-(oxan-2-yloxy)phenyl]benzamide (PubChem CID 139985514) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-[3-(oxan-2-yloxy)phenyl]benzamide.

Molecular Properties

Compound Name4-[3-(oxan-2-yloxy)phenyl]benzamide
PubChem CID139985514
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-[3-(oxan-2-yloxy)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc(OC3CCCCO3)c2)cc1
InChIInChI=1S/C18H19NO3/c19-18(20)14-9-7-13(8-10-14)15-4-3-5-16(12-15)22-17-6-1-2-11-21-17/h3-5,7-10,12,17H,1-2,6,11H2,(H2,19,20)
InChIKeyUYOCUEXPZZBBIL-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

3-[2-(oxan-2-yloxy)phenyl]benzamide
CID 139985534
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
2-(3-bromophenoxy)oxane
CID 5067264
4-(oxan-2-yloxy)benzoic acid
CID 11183645
(E)-1-(4-chlorophenyl)-3-[3-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 139234406
(E)-1-[2,5-bis(oxan-2-yloxy)phenyl]-3-(4-phenylphenyl)prop-2-en-1-one
CID 11070942
4-chloro-6-(oxan-2-yloxy)-3-[3-(oxan-2-yloxy)phenyl]chromen-2-one
CID 121409860
(2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane
CID 97044046
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
[(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate
CID 56986167
3-cyclopentyloxybenzamide
CID 71932153
2-(oxan-2-yl)-6-[3-(oxan-2-yloxy)phenyl]indazol-4-amine
CID 58255762

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxan-2-yloxy)phenyl]benzamide?
The IUPAC name of 4-[3-(oxan-2-yloxy)phenyl]benzamide (CID 139985514) is 4-[3-(oxan-2-yloxy)phenyl]benzamide.
What is the SMILES notation for 4-[3-(oxan-2-yloxy)phenyl]benzamide?
The canonical SMILES for 4-[3-(oxan-2-yloxy)phenyl]benzamide is NC(=O)c1ccc(-c2cccc(OC3CCCCO3)c2)cc1.
What is the InChIKey of 4-[3-(oxan-2-yloxy)phenyl]benzamide?
The InChIKey is UYOCUEXPZZBBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c19-18(20)14-9-7-13(8-10-14)15-4-3-5-16(12-15)22-17-6-1-2-11-21-17/h3-5,7-10,12,17H,1-2,6,11H2,(H2,19,20).
What are the key properties of 4-[3-(oxan-2-yloxy)phenyl]benzamide?
4-[3-(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 4-[3-(oxan-2-yloxy)phenyl]benzamide is sourced from PubChem (CID 139985514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).