N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide

C20H26N2O2 — CID 171134360

IUPACN-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NN=Cc1ccc(O)cc1)(C3)C2
InChIInChI=1S/C20H26N2O2/c1-18-7-15-8-19(2,11-18)13-20(9-15,12-18)17(24)22-21-10-14-3-5-16(23)6-4-14/h3-6,10,15,23H,7-9,11-13H2,1-2H3,(H,22,24)
InChIKeyPXKGIJJRCSPCDM-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.84
Rot. Bonds3

About N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide

N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide (PubChem CID 171134360) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
PubChem CID171134360
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NN=Cc1ccc(O)cc1)(C3)C2
InChIInChI=1S/C20H26N2O2/c1-18-7-15-8-19(2,11-18)13-20(9-15,12-18)17(24)22-21-10-14-3-5-16(23)6-4-14/h3-6,10,15,23H,7-9,11-13H2,1-2H3,(H,22,24)
InChIKeyPXKGIJJRCSPCDM-UHFFFAOYSA-N
XLogP3.84
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.84
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-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 110510593
3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide
CID 110510606
3,5-dimethyl-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]adamantane-1-carboxamide
CID 46494984
(3R,5R)-N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 136856659
N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 4662383
(3R,5S)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 135708248
N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 110510524
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 135559036
N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 46982222
(3S,5S)-N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 98237435
3,5-dimethyl-N-[(E)-(2-nitrophenyl)methylideneamino]adamantane-1-carboxamide
CID 45022544
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 110510580

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide (CID 171134360) is N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)NN=Cc1ccc(O)cc1)(C3)C2.
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is PXKGIJJRCSPCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-18-7-15-8-19(2,11-18)13-20(9-15,12-18)17(24)22-21-10-14-3-5-16(23)6-4-14/h3-6,10,15,23H,7-9,11-13H2,1-2H3,(H,22,24).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 171134360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).