1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide

C22H26N4O5 — CID 55350881

IUPAC1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESCCOc1ccccc1N1CC(C(=O)NNC(=O)CNc2ccc(OC)cc2)CC1=O
InChIInChI=1S/C22H26N4O5/c1-3-31-19-7-5-4-6-18(19)26-14-15(12-21(26)28)22(29)25-24-20(27)13-23-16-8-10-17(30-2)11-9-16/h4-11,15,23H,3,12-14H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyPYUXWQJPNCUZEZ-UHFFFAOYSA-N
MW426.47 g/mol
LogP1.71
Rot. Bonds8

About 1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide

1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 55350881) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide
PubChem CID55350881
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESCCOc1ccccc1N1CC(C(=O)NNC(=O)CNc2ccc(OC)cc2)CC1=O
InChIInChI=1S/C22H26N4O5/c1-3-31-19-7-5-4-6-18(19)26-14-15(12-21(26)28)22(29)25-24-20(27)13-23-16-8-10-17(30-2)11-9-16/h4-11,15,23H,3,12-14H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyPYUXWQJPNCUZEZ-UHFFFAOYSA-N
XLogP1.71
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide
CID 55629264
1-(2-ethoxyphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188193
N-[4-(difluoromethoxy)phenyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78594673
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004578
1-(2-ethoxyphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 134023136
1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24553743
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
(3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 7979073
(3R)-1-(2-ethoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26087224

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide (CID 55350881) is 1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide is CCOc1ccccc1N1CC(C(=O)NNC(=O)CNc2ccc(OC)cc2)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is PYUXWQJPNCUZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-3-31-19-7-5-4-6-18(19)26-14-15(12-21(26)28)22(29)25-24-20(27)13-23-16-8-10-17(30-2)11-9-16/h4-11,15,23H,3,12-14H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of 1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 426.47 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 55350881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).