N-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide

C24H34N2O — CID 6345571

IUPACN-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide
SMILESC/C(C[C@@H]1CC2=C(CC1(C)C)C(C)(C)CCC2)=N/NC(=O)c1ccccc1
InChIInChI=1S/C24H34N2O/c1-17(25-26-22(27)18-10-7-6-8-11-18)14-20-15-19-12-9-13-23(2,3)21(19)16-24(20,4)5/h6-8,10-11,20H,9,12-16H2,1-5H3,(H,26,27)/b25-17-/t20-/m1/s1
InChIKeyCEEKIVXITQUMRQ-AUFPJITRSA-N
MW366.55 g/mol
LogP6.13
Rot. Bonds4

About N-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide

N-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide (PubChem CID 6345571) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide
PubChem CID6345571
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide
SMILESC/C(C[C@@H]1CC2=C(CC1(C)C)C(C)(C)CCC2)=N/NC(=O)c1ccccc1
InChIInChI=1S/C24H34N2O/c1-17(25-26-22(27)18-10-7-6-8-11-18)14-20-15-19-12-9-13-23(2,3)21(19)16-24(20,4)5/h6-8,10-11,20H,9,12-16H2,1-5H3,(H,26,27)/b25-17-/t20-/m1/s1
InChIKeyCEEKIVXITQUMRQ-AUFPJITRSA-N
XLogP6.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Phenyl-1-(2H)-phthalazinone
CID 219150
1-Hydroxy-4-methylphthalazine
CID 21103
4-Benzyl-1(2H)-phthalazinone
CID 616651
Benzoic acid, 2-(1-methylethylidene)hydrazide
CID 18868
N'-(1-Phenylethylidene)benzohydrazide
CID 9574244
4-tert-butyl-N'-cyclopentylidenebenzohydrazide
CID 966675
N-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide
CID 3912518
N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide
CID 6064754
2-fluoro-N-(heptan-4-ylideneamino)benzamide
CID 3470873
3-methyl-N'-(1-phenylbutylidene)benzohydrazide
CID 5879645
N'-cyclopentylidene-3,4-dimethylbenzohydrazide
CID 840656
N-(1,3-diphenylpropan-2-ylideneamino)-4-fluorobenzamide
CID 4444511

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide?
The IUPAC name of N-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide (CID 6345571) is N-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide?
The canonical SMILES for N-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide is C/C(C[C@@H]1CC2=C(CC1(C)C)C(C)(C)CCC2)=N/NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide?
The InChIKey is CEEKIVXITQUMRQ-AUFPJITRSA-N. The full InChI is InChI=1S/C24H34N2O/c1-17(25-26-22(27)18-10-7-6-8-11-18)14-20-15-19-12-9-13-23(2,3)21(19)16-24(20,4)5/h6-8,10-11,20H,9,12-16H2,1-5H3,(H,26,27)/b25-17-/t20-/m1/s1.
What are the key properties of N-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide?
N-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide has a molecular weight of 366.55 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide is sourced from PubChem (CID 6345571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).