[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate

C27H33NO6 — CID 10719065

IUPAC[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
SMILESCOCCO/N=C(\OC(=O)c1ccc(C(=O)C(C)(C)C)cc1)c1ccc(C(=O)C(C)(C)C)cc1
InChIInChI=1S/C27H33NO6/c1-26(2,3)22(29)18-8-12-20(13-9-18)24(28-33-17-16-32-7)34-25(31)21-14-10-19(11-15-21)23(30)27(4,5)6/h8-15H,16-17H2,1-7H3/b28-24-
InChIKeyGQPLZMWENULOAM-COOPMVRXSA-N
MW467.56 g/mol
LogP5.33
Rot. Bonds8

About [(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate

[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate (PubChem CID 10719065) has the molecular formula C27H33NO6 and a molecular weight of 467.56 g/mol. Its IUPAC name is [(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate.

Molecular Properties

Compound Name[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
PubChem CID10719065
Molecular FormulaC27H33NO6
Molecular Weight467.56 g/mol
Exact Mass467.23
IUPAC Name[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
SMILESCOCCO/N=C(\OC(=O)c1ccc(C(=O)C(C)(C)C)cc1)c1ccc(C(=O)C(C)(C)C)cc1
InChIInChI=1S/C27H33NO6/c1-26(2,3)22(29)18-8-12-20(13-9-18)24(28-33-17-16-32-7)34-25(31)21-14-10-19(11-15-21)23(30)27(4,5)6/h8-15H,16-17H2,1-7H3/b28-24-
InChIKeyGQPLZMWENULOAM-COOPMVRXSA-N
XLogP5.33
TPSA91.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.56
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate with MolForge

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Related Compounds

4,4'-Dimethylenebis(ethyl benzoate)
CID 853458
[(E)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-methoxycarbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 5491458
((Z)-C-(4-(2,2-Dimethylpropanoyl)phenyl)-N-methoxycarbonimidoyl)4-(2,2-dimethylpropanoyl)benzoate
CID 6918214
[4-(5,5-Dimethyl-3,6-dioxocyclohexen-1-yl)phenyl]methyl benzoate
CID 46904830
[4-(5,5-dimethyl-3,6-dioxocyclohexen-1-yl)phenyl]methyl (E)-3-phenylprop-2-enoate
CID 46904837
Heptyl 4-(4-heptoxycarbonylphenyl)benzoate
CID 15378965
Ethane-1,2-diyl bis(4-methylbenzoate)
CID 3936237
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methyl 4-tert-butylbenzoate
CID 2732889
2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid
CID 10528247
2,3-Bis[[4-(2,2-dimethylpropanoyl)benzoyl]oxy]propyl 4-(2,2-dimethylpropanoyl)benzoate
CID 10532347
[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-propan-2-yloxycarbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10551568
4-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxybutanoic acid
CID 10553286

Frequently Asked Questions

What is the IUPAC name of [(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate?
The IUPAC name of [(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate (CID 10719065) is [(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate.
What is the SMILES notation for [(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate?
The canonical SMILES for [(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate is COCCO/N=C(\OC(=O)c1ccc(C(=O)C(C)(C)C)cc1)c1ccc(C(=O)C(C)(C)C)cc1.
What is the InChIKey of [(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate?
The InChIKey is GQPLZMWENULOAM-COOPMVRXSA-N. The full InChI is InChI=1S/C27H33NO6/c1-26(2,3)22(29)18-8-12-20(13-9-18)24(28-33-17-16-32-7)34-25(31)21-14-10-19(11-15-21)23(30)27(4,5)6/h8-15H,16-17H2,1-7H3/b28-24-.
What are the key properties of [(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate?
[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate has a molecular weight of 467.56 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate is sourced from PubChem (CID 10719065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).