N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide

C25H28N2O2 — CID 135559036

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCc1ccc(C23CC4CC(CC(C(=O)N/N=C/c5ccc(O)cc5)(C4)C2)C3)cc1
InChIInChI=1S/C25H28N2O2/c1-17-2-6-21(7-3-17)24-11-19-10-20(12-24)14-25(13-19,16-24)23(29)27-26-15-18-4-8-22(28)9-5-18/h2-9,15,19-20,28H,10-14,16H2,1H3,(H,27,29)/b26-15+
InChIKeyVGOBYVFSNBZYPT-CVKSISIWSA-N
MW388.51 g/mol
LogP4.69
Rot. Bonds4

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide (PubChem CID 135559036) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide
PubChem CID135559036
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCc1ccc(C23CC4CC(CC(C(=O)N/N=C/c5ccc(O)cc5)(C4)C2)C3)cc1
InChIInChI=1S/C25H28N2O2/c1-17-2-6-21(7-3-17)24-11-19-10-20(12-24)14-25(13-19,16-24)23(29)27-26-15-18-4-8-22(28)9-5-18/h2-9,15,19-20,28H,10-14,16H2,1H3,(H,27,29)/b26-15+
InChIKeyVGOBYVFSNBZYPT-CVKSISIWSA-N
XLogP4.69
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.69
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

(5S,7S)-3-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]adamantane-1-carboxamide
CID 98125859
(5S,7S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 136912524
(5S,7R)-N-[(Z)-1H-indol-3-ylmethylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 136668855
1-N,3-N-bis[(E)-(4-bromophenyl)methylideneamino]adamantane-1,3-dicarboxamide
CID 170444825
N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 171134360
1-(benzylideneamino)-3-[3-(4-methylphenyl)-1-adamantyl]urea
CID 3363317
(5R,7R)-3-(4-methylphenyl)-N-prop-2-enyladamantane-1-carboxamide
CID 98185677
1-[(4-methoxyphenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea
CID 3505019
methyl 3-(4-methylphenyl)adamantane-1-carboxylate
CID 3985939
methyl (5R,7R)-3-(4-methylphenyl)adamantane-1-carboxylate
CID 98116671
(2S)-2-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]propanoic acid
CID 2133286
(5S,7R)-N-(1-adamantylmethyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 7312500

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide (CID 135559036) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide is Cc1ccc(C23CC4CC(CC(C(=O)N/N=C/c5ccc(O)cc5)(C4)C2)C3)cc1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide?
The InChIKey is VGOBYVFSNBZYPT-CVKSISIWSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-17-2-6-21(7-3-17)24-11-19-10-20(12-24)14-25(13-19,16-24)23(29)27-26-15-18-4-8-22(28)9-5-18/h2-9,15,19-20,28H,10-14,16H2,1H3,(H,27,29)/b26-15+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 135559036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).