3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide

C16H23NO2 — CID 888352

IUPAC3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide
SMILESCc1ccc(O)c(NC(=O)CCC2CCCCC2)c1
InChIInChI=1S/C16H23NO2/c1-12-7-9-15(18)14(11-12)17-16(19)10-8-13-5-3-2-4-6-13/h7,9,11,13,18H,2-6,8,10H2,1H3,(H,17,19)
InChIKeyDLMLMHMSHJXIOD-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.00
Rot. Bonds4

About 3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide

3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide (PubChem CID 888352) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide
PubChem CID888352
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide
SMILESCc1ccc(O)c(NC(=O)CCC2CCCCC2)c1
InChIInChI=1S/C16H23NO2/c1-12-7-9-15(18)14(11-12)17-16(19)10-8-13-5-3-2-4-6-13/h7,9,11,13,18H,2-6,8,10H2,1H3,(H,17,19)
InChIKeyDLMLMHMSHJXIOD-UHFFFAOYSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide (CID 888352) is 3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide is Cc1ccc(O)c(NC(=O)CCC2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide?
The InChIKey is DLMLMHMSHJXIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-7-9-15(18)14(11-12)17-16(19)10-8-13-5-3-2-4-6-13/h7,9,11,13,18H,2-6,8,10H2,1H3,(H,17,19).
What are the key properties of 3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide?
3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2-hydroxy-5-methylphenyl)propanamide is sourced from PubChem (CID 888352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).