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

C24H34N2O — CID 3837703

IUPACN-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]benzamide
SMILESCC(CC1CC2=C(CC1(C)C)C(C)(C)CCC2)=NNC(=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)
InChIKeyCEEKIVXITQUMRQ-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.13
Rot. Bonds4

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

N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]benzamide (PubChem CID 3837703) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]benzamide.

Molecular Properties

Compound NameN-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]benzamide
PubChem CID3837703
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]benzamide
SMILESCC(CC1CC2=C(CC1(C)C)C(C)(C)CCC2)=NNC(=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)
InChIKeyCEEKIVXITQUMRQ-UHFFFAOYSA-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

N-[(Z)-1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]benzamide
CID 6375942
N-[(Z)-1-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]propan-2-ylideneamino]benzamide
CID 6345571
N-[(Z)-1-[(2S,3R)-2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl]ethylideneamino]benzamide
CID 7320555
N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278
N-[(4-amino-4-oxobutan-2-ylidene)amino]benzamide
CID 3434794
N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide
CID 6112093
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide
CID 2834282
N-[1-(1-adamantyl)ethylideneamino]benzamide
CID 4099751
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
CID 6019614
N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide
CID 54784798

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]benzamide?
The IUPAC name of N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]benzamide (CID 3837703) is N-[1-(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-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]benzamide?
The canonical SMILES for N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]benzamide is CC(CC1CC2=C(CC1(C)C)C(C)(C)CCC2)=NNC(=O)c1ccccc1.
What is the InChIKey of N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]benzamide?
The InChIKey is CEEKIVXITQUMRQ-UHFFFAOYSA-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).
What are the key properties of N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]benzamide?
N-[1-(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-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]benzamide is sourced from PubChem (CID 3837703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).