3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide

C24H32N2O2 — CID 139795293

IUPAC3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide
SMILESCCC(=NNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-8-20(16-12-10-9-11-13-16)25-26-22(28)17-14-18(23(2,3)4)21(27)19(15-17)24(5,6)7/h9-15,27H,8H2,1-7H3,(H,26,28)
InChIKeyBOKHEQDCYDLVSY-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.53
Rot. Bonds4

About 3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide

3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide (PubChem CID 139795293) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide
PubChem CID139795293
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide
SMILESCCC(=NNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-8-20(16-12-10-9-11-13-16)25-26-22(28)17-14-18(23(2,3)4)21(27)19(15-17)24(5,6)7/h9-15,27H,8H2,1-7H3,(H,26,28)
InChIKeyBOKHEQDCYDLVSY-UHFFFAOYSA-N
XLogP5.53
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.53
H-Bond Donors ≤ 52
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

3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6382208
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
3,5-ditert-butyl-4-hydroxy-N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135437725
N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide
CID 4284315
2-fluoro-N-(1-phenylpropylideneamino)benzamide
CID 4162373
N-(pentan-3-ylideneamino)benzamide
CID 4611553
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
3,5-ditert-butyl-N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 135437571
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135788611
4-[(E)-N-anilino-C-phenylcarbonimidoyl]-2,6-ditert-butylphenol
CID 135598899

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide?
The IUPAC name of 3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide (CID 139795293) is 3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide.
What is the SMILES notation for 3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide?
The canonical SMILES for 3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide is CCC(=NNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccc1.
What is the InChIKey of 3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide?
The InChIKey is BOKHEQDCYDLVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-8-20(16-12-10-9-11-13-16)25-26-22(28)17-14-18(23(2,3)4)21(27)19(15-17)24(5,6)7/h9-15,27H,8H2,1-7H3,(H,26,28).
What are the key properties of 3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide?
3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide has a molecular weight of 380.53 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide is sourced from PubChem (CID 139795293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).