ethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate

C23H28N2O4 — CID 143452335

IUPACethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)C(/C=N\NC(C)(C)C)C(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H28N2O4/c1-5-28-22(27)19(15-24-25-23(2,3)4)21(26)18-13-9-10-14-20(18)29-16-17-11-7-6-8-12-17/h6-15,19,25H,5,16H2,1-4H3/b24-15-
InChIKeyZCVFLILXFPNQBI-IWIPYMOSSA-N
MW396.49 g/mol
LogP4.00
Rot. Bonds9

About ethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate

ethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate (PubChem CID 143452335) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is ethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate
PubChem CID143452335
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Nameethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)C(/C=N\NC(C)(C)C)C(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H28N2O4/c1-5-28-22(27)19(15-24-25-23(2,3)4)21(26)18-13-9-10-14-20(18)29-16-17-11-7-6-8-12-17/h6-15,19,25H,5,16H2,1-4H3/b24-15-
InChIKeyZCVFLILXFPNQBI-IWIPYMOSSA-N
XLogP4.00
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
ethyl 2-(benzyliminomethyl)-3-(2-chlorophenyl)-3-oxopropanoate
CID 91126025
2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
CID 87515751
N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
CID 4938113
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate
CID 5027980
ethyl 2-(2-anilinoethyliminomethyl)-3-(2-chlorophenyl)-3-oxopropanoate
CID 91103659
dimethyl (E)-2,3-bis(2-phenylmethoxyphenyl)but-2-enedioate
CID 135020990
2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
CID 5200532
ethyl 4-(5-fluoro-2-phenylmethoxyphenyl)-2,4-dioxobutanoate
CID 164853346
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
CID 99953141

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate?
The IUPAC name of ethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate (CID 143452335) is ethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate is CCOC(=O)C(/C=N\NC(C)(C)C)C(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of ethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate?
The InChIKey is ZCVFLILXFPNQBI-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-5-28-22(27)19(15-24-25-23(2,3)4)21(26)18-13-9-10-14-20(18)29-16-17-11-7-6-8-12-17/h6-15,19,25H,5,16H2,1-4H3/b24-15-.
What are the key properties of ethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate?
ethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate has a molecular weight of 396.49 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(Z)-(tert-butylhydrazinylidene)methyl]-3-oxo-3-(2-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 143452335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).