N-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide

C21H23NO3 — CID 158685330

IUPACN-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide
SMILESO=C(NC1CCCCC1)c1ccc(CC(=O)c2ccccc2O)cc1
InChIInChI=1S/C21H23NO3/c23-19-9-5-4-8-18(19)20(24)14-15-10-12-16(13-11-15)21(25)22-17-6-2-1-3-7-17/h4-5,8-13,17,23H,1-3,6-7,14H2,(H,22,25)
InChIKeyIFQWIDGNHXYFJW-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.88
Rot. Bonds5

About N-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide

N-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide (PubChem CID 158685330) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide
PubChem CID158685330
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide
SMILESO=C(NC1CCCCC1)c1ccc(CC(=O)c2ccccc2O)cc1
InChIInChI=1S/C21H23NO3/c23-19-9-5-4-8-18(19)20(24)14-15-10-12-16(13-11-15)21(25)22-17-6-2-1-3-7-17/h4-5,8-13,17,23H,1-3,6-7,14H2,(H,22,25)
InChIKeyIFQWIDGNHXYFJW-UHFFFAOYSA-N
XLogP3.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60636896
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N-cyclooctyl-4-methylbenzamide
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1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
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CID 100515269

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide?
The IUPAC name of N-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide (CID 158685330) is N-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide is O=C(NC1CCCCC1)c1ccc(CC(=O)c2ccccc2O)cc1.
What is the InChIKey of N-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide?
The InChIKey is IFQWIDGNHXYFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-19-9-5-4-8-18(19)20(24)14-15-10-12-16(13-11-15)21(25)22-17-6-2-1-3-7-17/h4-5,8-13,17,23H,1-3,6-7,14H2,(H,22,25).
What are the key properties of N-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide?
N-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide is sourced from PubChem (CID 158685330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).