N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide

C19H24N2O2 — CID 136776131

IUPACN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide
SMILESC/C(=N/NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(O)cc1
InChIInChI=1S/C19H24N2O2/c1-12(16-2-4-17(22)5-3-16)20-21-18(23)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,22H,6-11H2,1H3,(H,21,23)/b20-12-
InChIKeyWYIKXKDJOOMENK-NDENLUEZSA-N
MW312.41 g/mol
LogP3.45
Rot. Bonds3

About N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide

N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide (PubChem CID 136776131) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide
PubChem CID136776131
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide
SMILESC/C(=N/NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(O)cc1
InChIInChI=1S/C19H24N2O2/c1-12(16-2-4-17(22)5-3-16)20-21-18(23)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,22H,6-11H2,1H3,(H,21,23)/b20-12-
InChIKeyWYIKXKDJOOMENK-NDENLUEZSA-N
XLogP3.45
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide
CID 137034851
N-[(E)-1-(3-nitrophenyl)ethylideneamino]adamantane-1-carboxamide
CID 18528037
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 136690060
N-(1-phenylbutylideneamino)adamantane-1-carboxamide
CID 4275129
1-(1-adamantyl)-3-[1-(4-nitrophenyl)ethylideneamino]urea
CID 3503647
(1S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135780050
N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135765562
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide
CID 135799294
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide
CID 171980978
cis-(1R,2S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907421

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide?
The IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide (CID 136776131) is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide is C/C(=N/NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide?
The InChIKey is WYIKXKDJOOMENK-NDENLUEZSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-12(16-2-4-17(22)5-3-16)20-21-18(23)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,22H,6-11H2,1H3,(H,21,23)/b20-12-.
What are the key properties of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide?
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide is sourced from PubChem (CID 136776131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).