ethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate

C30H28N4O7 — CID 51138450

IUPACethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
SMILESCCOC(=O)C1(C)C(C(=O)C(=O)NNC(=O)c2ccc(OC)cc2)=C(Nc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C30H28N4O7/c1-4-41-29(39)30(2)23(25(35)27(37)33-32-26(36)19-15-17-22(40-3)18-16-19)24(31-20-11-7-5-8-12-20)28(38)34(30)21-13-9-6-10-14-21/h5-18,31H,4H2,1-3H3,(H,32,36)(H,33,37)
InChIKeyLBNZPUZBWTYJRG-UHFFFAOYSA-N
MW556.58 g/mol
LogP2.76
Rot. Bonds9

About ethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate

ethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate (PubChem CID 51138450) has the molecular formula C30H28N4O7 and a molecular weight of 556.58 g/mol. Its IUPAC name is ethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
PubChem CID51138450
Molecular FormulaC30H28N4O7
Molecular Weight556.58 g/mol
Exact Mass556.20
IUPAC Nameethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
SMILESCCOC(=O)C1(C)C(C(=O)C(=O)NNC(=O)c2ccc(OC)cc2)=C(Nc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C30H28N4O7/c1-4-41-29(39)30(2)23(25(35)27(37)33-32-26(36)19-15-17-22(40-3)18-16-19)24(31-20-11-7-5-8-12-20)28(38)34(30)21-13-9-6-10-14-21/h5-18,31H,4H2,1-3H3,(H,32,36)(H,33,37)
InChIKeyLBNZPUZBWTYJRG-UHFFFAOYSA-N
XLogP2.76
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.58
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate with MolForge

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Related Compounds

methyl (3E)-2-hydroxy-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxo-1-phenylpyrrolidine-2-carboxylate
CID 5289960
ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 162674101
ethyl (2S,3E)-1-(4-fluorophenyl)-2-methyl-4,5-dioxo-3-(phenylhydrazinylidene)pyrrolidine-2-carboxylate
CID 7300871
ethyl (2S,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-methyl-4,5-dioxo-1-phenylpyrrolidine-2-carboxylate
CID 7411921
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate
CID 3516240
3-ethoxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 24585783
ethyl (2S,3E)-3-[(2-chlorophenyl)hydrazinylidene]-2-methyl-4,5-dioxo-1-phenylpyrrolidine-2-carboxylate
CID 7410040
ethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 3540940
ethyl 4-(4-bromoanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 3327045
N-[4-(4-anilino-2,5-dioxo-1-phenylpyrrol-3-yl)sulfanylphenyl]-4-methoxybenzamide
CID 83275041
4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide
CID 132564460

Frequently Asked Questions

What is the IUPAC name of ethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate (CID 51138450) is ethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate is CCOC(=O)C1(C)C(C(=O)C(=O)NNC(=O)c2ccc(OC)cc2)=C(Nc2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of ethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
The InChIKey is LBNZPUZBWTYJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O7/c1-4-41-29(39)30(2)23(25(35)27(37)33-32-26(36)19-15-17-22(40-3)18-16-19)24(31-20-11-7-5-8-12-20)28(38)34(30)21-13-9-6-10-14-21/h5-18,31H,4H2,1-3H3,(H,32,36)(H,33,37).
What are the key properties of ethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
ethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate has a molecular weight of 556.58 g/mol, XLogP of 2.76, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate is sourced from PubChem (CID 51138450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).