N-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide

C16H23NO3 — CID 56805469

IUPACN-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide
SMILESCC1CCCC(OCC(=O)NCc2ccccc2O)C1
InChIInChI=1S/C16H23NO3/c1-12-5-4-7-14(9-12)20-11-16(19)17-10-13-6-2-3-8-15(13)18/h2-3,6,8,12,14,18H,4-5,7,9-11H2,1H3,(H,17,19)
InChIKeyRQFRZZHIQAYTNC-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.60
Rot. Bonds5

About N-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide

N-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide (PubChem CID 56805469) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide
PubChem CID56805469
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide
SMILESCC1CCCC(OCC(=O)NCc2ccccc2O)C1
InChIInChI=1S/C16H23NO3/c1-12-5-4-7-14(9-12)20-11-16(19)17-10-13-6-2-3-8-15(13)18/h2-3,6,8,12,14,18H,4-5,7,9-11H2,1H3,(H,17,19)
InChIKeyRQFRZZHIQAYTNC-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide (CID 56805469) is N-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide is CC1CCCC(OCC(=O)NCc2ccccc2O)C1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide?
The InChIKey is RQFRZZHIQAYTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-5-4-7-14(9-12)20-11-16(19)17-10-13-6-2-3-8-15(13)18/h2-3,6,8,12,14,18H,4-5,7,9-11H2,1H3,(H,17,19).
What are the key properties of N-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide?
N-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide has a molecular weight of 277.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-2-(3-methylcyclohexyl)oxyacetamide is sourced from PubChem (CID 56805469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).