N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide

C19H24N2O3 — CID 137034851

IUPACN-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide
SMILESC/C(=N/NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(O)cc1O
InChIInChI=1S/C19H24N2O3/c1-11(16-3-2-15(22)7-17(16)23)20-21-18(24)19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,22-23H,4-6,8-10H2,1H3,(H,21,24)/b20-11-
InChIKeyOXOXOQVOAIOCIT-JAIQZWGSSA-N
MW328.41 g/mol
LogP3.15
Rot. Bonds3

About N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide

N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide (PubChem CID 137034851) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide
PubChem CID137034851
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide
SMILESC/C(=N/NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(O)cc1O
InChIInChI=1S/C19H24N2O3/c1-11(16-3-2-15(22)7-17(16)23)20-21-18(24)19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,22-23H,4-6,8-10H2,1H3,(H,21,24)/b20-11-
InChIKeyOXOXOQVOAIOCIT-JAIQZWGSSA-N
XLogP3.15
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide?
The IUPAC name of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide (CID 137034851) is N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide?
The canonical SMILES for N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide is C/C(=N/NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(O)cc1O.
What is the InChIKey of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide?
The InChIKey is OXOXOQVOAIOCIT-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-11(16-3-2-15(22)7-17(16)23)20-21-18(24)19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,22-23H,4-6,8-10H2,1H3,(H,21,24)/b20-11-.
What are the key properties of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide?
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide is sourced from PubChem (CID 137034851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).