N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide

C20H26N2O3 — CID 95041471

IUPACN-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C(\C)C23CC4CC(CC(C4)C2)C3)c1O
InChIInChI=1S/C20H26N2O3/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)21-22-19(24)16-4-3-5-17(25-2)18(16)23/h3-5,13-15,23H,6-11H2,1-2H3,(H,22,24)/b21-12+
InChIKeyZXRHEBPOXSBFPI-CIAFOILYSA-N
MW342.44 g/mol
LogP3.72
Rot. Bonds4

About N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide

N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide (PubChem CID 95041471) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide
PubChem CID95041471
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C(\C)C23CC4CC(CC(C4)C2)C3)c1O
InChIInChI=1S/C20H26N2O3/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)21-22-19(24)16-4-3-5-17(25-2)18(16)23/h3-5,13-15,23H,6-11H2,1-2H3,(H,22,24)/b21-12+
InChIKeyZXRHEBPOXSBFPI-CIAFOILYSA-N
XLogP3.72
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide
CID 6148191
N-[1-(1-adamantyl)ethylideneamino]benzamide
CID 4099751
N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide
CID 3983394
2-chloro-N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137028983
N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137118645
N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide
CID 2852529
2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
CID 24773714
N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 4667670
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxybenzamide
CID 114630957
2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide
CID 164702541
(2,3-dihydroxyphenyl) adamantane-1-carboxylate
CID 123805811

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide (CID 95041471) is N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)N/N=C(\C)C23CC4CC(CC(C4)C2)C3)c1O.
What is the InChIKey of N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide?
The InChIKey is ZXRHEBPOXSBFPI-CIAFOILYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)21-22-19(24)16-4-3-5-17(25-2)18(16)23/h3-5,13-15,23H,6-11H2,1-2H3,(H,22,24)/b21-12+.
What are the key properties of N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide?
N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide has a molecular weight of 342.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 95041471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).