N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide

C18H22N2O2 — CID 136705004

IUPACN-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
SMILESO=C(N/N=C\c1ccccc1O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22N2O2/c21-16-4-2-1-3-15(16)11-19-20-17(22)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14,21H,5-10H2,(H,20,22)/b19-11-
InChIKeyQNMCIYVPMWYCSA-ODLFYWEKSA-N
MW298.39 g/mol
LogP3.06
Rot. Bonds3

About N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide

N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide (PubChem CID 136705004) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
PubChem CID136705004
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
SMILESO=C(N/N=C\c1ccccc1O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22N2O2/c21-16-4-2-1-3-15(16)11-19-20-17(22)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14,21H,5-10H2,(H,20,22)/b19-11-
InChIKeyQNMCIYVPMWYCSA-ODLFYWEKSA-N
XLogP3.06
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide
CID 171137430
N-(benzylideneamino)adamantane-1-carboxamide
CID 2837531
1-(1-adamantyl)-3-[(Z)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 136716051
(3S,6S)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 135851423
N-[(2-chloro-6-fluorophenyl)methylideneamino]adamantane-1-carboxamide
CID 4683119
1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
CID 135977022
N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide
CID 3119719
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
1-N,3-N-bis[(E)-(4-bromophenyl)methylideneamino]adamantane-1,3-dicarboxamide
CID 170444825
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 4675666
N-[(2,2-dichloro-3-phenylcyclopropyl)methylideneamino]adamantane-1-carboxamide
CID 4162172
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide?
The IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide (CID 136705004) is N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide.
What is the SMILES notation for N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide?
The canonical SMILES for N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide is O=C(N/N=C\c1ccccc1O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide?
The InChIKey is QNMCIYVPMWYCSA-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-16-4-2-1-3-15(16)11-19-20-17(22)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14,21H,5-10H2,(H,20,22)/b19-11-.
What are the key properties of N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide?
N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide is sourced from PubChem (CID 136705004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).