N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide

C18H23NO2 — CID 78915665

IUPACN-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide
SMILESCc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)c(O)c1
InChIInChI=1S/C18H23NO2/c1-10-2-3-15(16(20)4-10)19-18(21)17-13-6-11-5-12(8-13)9-14(17)7-11/h2-4,11-14,17,20H,5-9H2,1H3,(H,19,21)
InChIKeyIRSSNMMLPTZLTK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.71
Rot. Bonds2

About N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide

N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide (PubChem CID 78915665) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide
PubChem CID78915665
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide
SMILESCc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)c(O)c1
InChIInChI=1S/C18H23NO2/c1-10-2-3-15(16(20)4-10)19-18(21)17-13-6-11-5-12(8-13)9-14(17)7-11/h2-4,11-14,17,20H,5-9H2,1H3,(H,19,21)
InChIKeyIRSSNMMLPTZLTK-UHFFFAOYSA-N
XLogP3.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide
CID 107697676
N-(2-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703052
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688939
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide
CID 81426078
N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride
CID 119422484
N-(4-bromo-3-methylphenyl)adamantane-2-carboxamide
CID 78910053
3-(2-hydroxy-4-methylphenyl)-1,1-dimethylurea
CID 79154521
2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 24540776
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide (CID 78915665) is N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide is Cc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide?
The InChIKey is IRSSNMMLPTZLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-10-2-3-15(16(20)4-10)19-18(21)17-13-6-11-5-12(8-13)9-14(17)7-11/h2-4,11-14,17,20H,5-9H2,1H3,(H,19,21).
What are the key properties of N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide?
N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide is sourced from PubChem (CID 78915665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).