ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate

C23H25N3O3 — CID 126368555

IUPACethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)c2ccccc21
InChIInChI=1S/C23H25N3O3/c1-3-17-9-11-18(12-10-17)13-22(27)25-24-14-19-15-26(16-23(28)29-4-2)21-8-6-5-7-20(19)21/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,25,27)/b24-14-
InChIKeyMVTFZJWCYWWWMX-OYKKKHCWSA-N
MW391.47 g/mol
LogP3.46
Rot. Bonds8

About ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate

ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate (PubChem CID 126368555) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate
PubChem CID126368555
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Nameethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)c2ccccc21
InChIInChI=1S/C23H25N3O3/c1-3-17-9-11-18(12-10-17)13-22(27)25-24-14-19-15-26(16-23(28)29-4-2)21-8-6-5-7-20(19)21/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,25,27)/b24-14-
InChIKeyMVTFZJWCYWWWMX-OYKKKHCWSA-N
XLogP3.46
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethyl 2-[3-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]indol-1-yl]acetate
CID 126353149
ethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate
CID 29147811
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126150640
2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 98050723
2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126373063
2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
CID 6107555
ethyl 2-(3-ethylindol-1-yl)acetate
CID 59177495
ethane;ethyl 2-(3-ethenylindol-1-yl)acetate
CID 145169068
2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 126364361
2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
CID 126364382
methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
CID 654649
2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 110515655

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate (CID 126368555) is ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate is CCOC(=O)Cn1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)c2ccccc21.
What is the InChIKey of ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate?
The InChIKey is MVTFZJWCYWWWMX-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-17-9-11-18(12-10-17)13-22(27)25-24-14-19-15-26(16-23(28)29-4-2)21-8-6-5-7-20(19)21/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,25,27)/b24-14-.
What are the key properties of ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate?
ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate has a molecular weight of 391.47 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate is sourced from PubChem (CID 126368555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).