ethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate

C19H23N3O4 — CID 135722901

IUPACethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(/C=N/NC(=O)COc2cccc(C)c2)c1C
InChIInChI=1S/C19H23N3O4/c1-5-25-19(24)18-13(3)16(21-14(18)4)10-20-22-17(23)11-26-15-8-6-7-12(2)9-15/h6-10,21H,5,11H2,1-4H3,(H,22,23)/b20-10+
InChIKeyFYGUYPOZRZMWCI-KEBDBYFISA-N
MW357.41 g/mol
LogP2.65
Rot. Bonds7

About ethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate

ethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate (PubChem CID 135722901) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate
PubChem CID135722901
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Nameethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(/C=N/NC(=O)COc2cccc(C)c2)c1C
InChIInChI=1S/C19H23N3O4/c1-5-25-19(24)18-13(3)16(21-14(18)4)10-20-22-17(23)11-26-15-8-6-7-12(2)9-15/h6-10,21H,5,11H2,1-4H3,(H,22,23)/b20-10+
InChIKeyFYGUYPOZRZMWCI-KEBDBYFISA-N
XLogP2.65
TPSA92.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
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

N-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 968480
ethyl 2,4-dimethyl-5-[(E)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate
CID 135574163
2-(3-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 947703
ethyl 5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 135710471
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 135852675
N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide
CID 4923111
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide
CID 4038788
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 136748235
N-[(5-bromothiophen-2-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 1035045
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910962

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate (CID 135722901) is ethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(/C=N/NC(=O)COc2cccc(C)c2)c1C.
What is the InChIKey of ethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate?
The InChIKey is FYGUYPOZRZMWCI-KEBDBYFISA-N. The full InChI is InChI=1S/C19H23N3O4/c1-5-25-19(24)18-13(3)16(21-14(18)4)10-20-22-17(23)11-26-15-8-6-7-12(2)9-15/h6-10,21H,5,11H2,1-4H3,(H,22,23)/b20-10+.
What are the key properties of ethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate?
ethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 135722901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).