ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate

C23H25N3O4 — CID 29148713

IUPACethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)c(/C=N\NC(=O)c2ccc(OCC)cc2)c2ccccc21
InChIInChI=1S/C23H25N3O4/c1-4-29-18-12-10-17(11-13-18)23(28)25-24-14-20-16(3)26(15-22(27)30-5-2)21-9-7-6-8-19(20)21/h6-14H,4-5,15H2,1-3H3,(H,25,28)/b24-14-
InChIKeyZKCKBQBFXUGTIU-OYKKKHCWSA-N
MW407.47 g/mol
LogP3.68
Rot. Bonds8

About ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate

ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate (PubChem CID 29148713) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate
PubChem CID29148713
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Nameethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)c(/C=N\NC(=O)c2ccc(OCC)cc2)c2ccccc21
InChIInChI=1S/C23H25N3O4/c1-4-29-18-12-10-17(11-13-18)23(28)25-24-14-20-16(3)26(15-22(27)30-5-2)21-9-7-6-8-19(20)21/h6-14H,4-5,15H2,1-3H3,(H,25,28)/b24-14-
InChIKeyZKCKBQBFXUGTIU-OYKKKHCWSA-N
XLogP3.68
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide
CID 17246252
N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide
CID 29148711
4-ethoxy-N-[(E)-(2-methyl-1-propan-2-ylindol-3-yl)methylideneamino]benzamide
CID 17246511
N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide
CID 92659209
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
ethyl 2-[3-[(Z)-[[2-(2,4-dimethylphenyl)acetyl]hydrazinylidene]methyl]-2-methylindol-1-yl]acetate
CID 99944814
ethyl 2-[3-[(E)-[[6-(hydroxymethyl)-4-methoxy-1-benzofuran-2-carbonyl]hydrazinylidene]methyl]-2-methylindol-1-yl]acetate
CID 165165696
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 4615384
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
ethyl 2-[3-[(Z)-[[(2S)-2-[(3,5-dinitrobenzoyl)amino]-4-methylpentanoyl]hydrazinylidene]methyl]-2-methylindol-1-yl]acetate
CID 126019046
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 4673799

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate (CID 29148713) is ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate is CCOC(=O)Cn1c(C)c(/C=N\NC(=O)c2ccc(OCC)cc2)c2ccccc21.
What is the InChIKey of ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate?
The InChIKey is ZKCKBQBFXUGTIU-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-29-18-12-10-17(11-13-18)23(28)25-24-14-20-16(3)26(15-22(27)30-5-2)21-9-7-6-8-19(20)21/h6-14H,4-5,15H2,1-3H3,(H,25,28)/b24-14-.
What are the key properties of ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate?
ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate has a molecular weight of 407.47 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate is sourced from PubChem (CID 29148713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).