N-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide

C19H17NO2 — CID 6458411

IUPACN-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide
SMILESCc1ccc(O)c(NC(=O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H17NO2/c1-13-6-9-18(21)17(10-13)20-19(22)12-14-7-8-15-4-2-3-5-16(15)11-14/h2-11,21H,12H2,1H3,(H,20,22)
InChIKeyDYEQSAHNVBSBBV-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.04
Rot. Bonds3

About N-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide

N-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide (PubChem CID 6458411) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide
PubChem CID6458411
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC NameN-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide
SMILESCc1ccc(O)c(NC(=O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H17NO2/c1-13-6-9-18(21)17(10-13)20-19(22)12-14-7-8-15-4-2-3-5-16(15)11-14/h2-11,21H,12H2,1H3,(H,20,22)
InChIKeyDYEQSAHNVBSBBV-UHFFFAOYSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.04
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 N-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide (CID 6458411) is N-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide is Cc1ccc(O)c(NC(=O)Cc2ccc3ccccc3c2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide?
The InChIKey is DYEQSAHNVBSBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13-6-9-18(21)17(10-13)20-19(22)12-14-7-8-15-4-2-3-5-16(15)11-14/h2-11,21H,12H2,1H3,(H,20,22).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide?
N-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide has a molecular weight of 291.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 6458411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).