3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide

C24H34N2O2 — CID 110510606

IUPAC3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)N/N=C/c1ccc(OC(C)(C)C)cc1)(C3)C2
InChIInChI=1S/C24H34N2O2/c1-21(2,3)28-19-8-6-17(7-9-19)13-25-26-20(27)24-12-18-10-22(4,15-24)14-23(5,11-18)16-24/h6-9,13,18H,10-12,14-16H2,1-5H3,(H,26,27)/b25-13+
InChIKeyUZPGWOZGJAYQNA-DHRITJCHSA-N
MW382.55 g/mol
LogP5.31
Rot. Bonds4

About 3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide

3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide (PubChem CID 110510606) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide
PubChem CID110510606
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)N/N=C/c1ccc(OC(C)(C)C)cc1)(C3)C2
InChIInChI=1S/C24H34N2O2/c1-21(2,3)28-19-8-6-17(7-9-19)13-25-26-20(27)24-12-18-10-22(4,15-24)14-23(5,11-18)16-24/h6-9,13,18H,10-12,14-16H2,1-5H3,(H,26,27)/b25-13+
InChIKeyUZPGWOZGJAYQNA-DHRITJCHSA-N
XLogP5.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 171134360
N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 110510593
3,5-dimethyl-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]adamantane-1-carboxamide
CID 46494984
N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 110510524
N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 4662383
(3R,5R)-N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 136856659
3,5-dimethyl-N-[(E)-(2-nitrophenyl)methylideneamino]adamantane-1-carboxamide
CID 45022544
3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 110510634
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 110510580
(3R,5S)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 135708248
N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 136787223
N-(benzylideneamino)adamantane-1-carboxamide
CID 2837531

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide (CID 110510606) is 3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)N/N=C/c1ccc(OC(C)(C)C)cc1)(C3)C2.
What is the InChIKey of 3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide?
The InChIKey is UZPGWOZGJAYQNA-DHRITJCHSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-21(2,3)28-19-8-6-17(7-9-19)13-25-26-20(27)24-12-18-10-22(4,15-24)14-23(5,11-18)16-24/h6-9,13,18H,10-12,14-16H2,1-5H3,(H,26,27)/b25-13+.
What are the key properties of 3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide?
3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide is sourced from PubChem (CID 110510606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).