4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide

C18H19NO3 — CID 118795936

IUPAC4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(-c3ccccc3O)cc2)COC1
InChIInChI=1S/C18H19NO3/c1-18(11-22-12-18)10-19-17(21)14-8-6-13(7-9-14)15-4-2-3-5-16(15)20/h2-9,20H,10-12H2,1H3,(H,19,21)
InChIKeyVKJKRBAWIIOCCT-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.83
Rot. Bonds4

About 4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide

4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide (PubChem CID 118795936) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
PubChem CID118795936
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(-c3ccccc3O)cc2)COC1
InChIInChI=1S/C18H19NO3/c1-18(11-22-12-18)10-19-17(21)14-8-6-13(7-9-14)15-4-2-3-5-16(15)20/h2-9,20H,10-12H2,1H3,(H,19,21)
InChIKeyVKJKRBAWIIOCCT-UHFFFAOYSA-N
XLogP2.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The IUPAC name of 4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide (CID 118795936) is 4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide is CC1(CNC(=O)c2ccc(-c3ccccc3O)cc2)COC1.
What is the InChIKey of 4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The InChIKey is VKJKRBAWIIOCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-18(11-22-12-18)10-19-17(21)14-8-6-13(7-9-14)15-4-2-3-5-16(15)20/h2-9,20H,10-12H2,1H3,(H,19,21).
What are the key properties of 4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide has a molecular weight of 297.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide is sourced from PubChem (CID 118795936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).