N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide

C17H22N2O2 — CID 107697676

IUPACN-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide
SMILESNc1cc(O)ccc1NC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22N2O2/c18-14-8-13(20)1-2-15(14)19-17(21)16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16,20H,3-7,18H2,(H,19,21)
InChIKeyUIEZVIQVOLNCIE-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.99
Rot. Bonds2

About N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide

N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide (PubChem CID 107697676) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide
PubChem CID107697676
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide
SMILESNc1cc(O)ccc1NC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22N2O2/c18-14-8-13(20)1-2-15(14)19-17(21)16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16,20H,3-7,18H2,(H,19,21)
InChIKeyUIEZVIQVOLNCIE-UHFFFAOYSA-N
XLogP2.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride
CID 119422484
N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide
CID 78915665
N-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride
CID 119618672
N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide
CID 107606833
N-(2-amino-4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107697069
N-(2-amino-4-hydroxyphenyl)-2-methylpropanamide
CID 107697096
N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide
CID 81098384
N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107697268
2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid
CID 159148469
N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103820530
3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea
CID 107698052
3-amino-4-hydrazinylphenol
CID 119000444

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide (CID 107697676) is N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide is Nc1cc(O)ccc1NC(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide?
The InChIKey is UIEZVIQVOLNCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-14-8-13(20)1-2-15(14)19-17(21)16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16,20H,3-7,18H2,(H,19,21).
What are the key properties of N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide?
N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide is sourced from PubChem (CID 107697676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).