3-(oxan-2-yloxymethyl)benzamide

C13H17NO3 — CID 139882771

IUPAC3-(oxan-2-yloxymethyl)benzamide
SMILESNC(=O)c1cccc(COC2CCCCO2)c1
InChIInChI=1S/C13H17NO3/c14-13(15)11-5-3-4-10(8-11)9-17-12-6-1-2-7-16-12/h3-5,8,12H,1-2,6-7,9H2,(H2,14,15)
InChIKeyXELOPYVBHPKGPF-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.83
Rot. Bonds4

About 3-(oxan-2-yloxymethyl)benzamide

3-(oxan-2-yloxymethyl)benzamide (PubChem CID 139882771) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(oxan-2-yloxymethyl)benzamide.

Molecular Properties

Compound Name3-(oxan-2-yloxymethyl)benzamide
PubChem CID139882771
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(oxan-2-yloxymethyl)benzamide
SMILESNC(=O)c1cccc(COC2CCCCO2)c1
InChIInChI=1S/C13H17NO3/c14-13(15)11-5-3-4-10(8-11)9-17-12-6-1-2-7-16-12/h3-5,8,12H,1-2,6-7,9H2,(H2,14,15)
InChIKeyXELOPYVBHPKGPF-UHFFFAOYSA-N
XLogP1.83
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone
CID 122582585
2-[(3-nitrophenyl)methoxy]oxane
CID 10955574
3-[(4-aminocyclohexyl)oxymethyl]benzamide
CID 62807395
2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone
CID 157181032
2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10392867
ethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate
CID 164537921
methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate
CID 10022408
3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline
CID 90246762
3-[2-(oxan-2-yloxy)phenyl]benzamide
CID 139985534

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yloxymethyl)benzamide?
The IUPAC name of 3-(oxan-2-yloxymethyl)benzamide (CID 139882771) is 3-(oxan-2-yloxymethyl)benzamide.
What is the SMILES notation for 3-(oxan-2-yloxymethyl)benzamide?
The canonical SMILES for 3-(oxan-2-yloxymethyl)benzamide is NC(=O)c1cccc(COC2CCCCO2)c1.
What is the InChIKey of 3-(oxan-2-yloxymethyl)benzamide?
The InChIKey is XELOPYVBHPKGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c14-13(15)11-5-3-4-10(8-11)9-17-12-6-1-2-7-16-12/h3-5,8,12H,1-2,6-7,9H2,(H2,14,15).
What are the key properties of 3-(oxan-2-yloxymethyl)benzamide?
3-(oxan-2-yloxymethyl)benzamide has a molecular weight of 235.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yloxymethyl)benzamide is sourced from PubChem (CID 139882771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).