ethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate

C22H25N3O6 — CID 5222615

IUPACethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(C=NNC(=O)C(C)NC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C22H25N3O6/c1-4-30-20(26)14-31-19-7-5-6-16(12-19)13-23-25-21(27)15(2)24-22(28)17-8-10-18(29-3)11-9-17/h5-13,15H,4,14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyPLZOBHRUELPLKZ-UHFFFAOYSA-N
MW427.46 g/mol
LogP1.91
Rot. Bonds10

About ethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate

ethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate (PubChem CID 5222615) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is ethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate
PubChem CID5222615
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC Nameethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(C=NNC(=O)C(C)NC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C22H25N3O6/c1-4-30-20(26)14-31-19-7-5-6-16(12-19)13-23-25-21(27)15(2)24-22(28)17-8-10-18(29-3)11-9-17/h5-13,15H,4,14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyPLZOBHRUELPLKZ-UHFFFAOYSA-N
XLogP1.91
TPSA115.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(E)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 17246379
N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3940668
ethyl 2-[3-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3348164
N-[1-[2-[(3-bromo-4-butoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 5013948
4-methoxy-N-[1-oxo-1-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 4300570
ethyl 2-[3-[[[2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 4032648
N-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 4045134
methyl 2-[4-[[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 4015620
N-[1-[2-[(2-butoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3926301
N-[1-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3990603
N-[1-[(2E)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 135683737
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate (CID 5222615) is ethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate is CCOC(=O)COc1cccc(C=NNC(=O)C(C)NC(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of ethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is PLZOBHRUELPLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-4-30-20(26)14-31-19-7-5-6-16(12-19)13-23-25-21(27)15(2)24-22(28)17-8-10-18(29-3)11-9-17/h5-13,15H,4,14H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of ethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate?
ethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 427.46 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 5222615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).