N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide

C20H22N4O4 — CID 55629264

IUPACN'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C20H22N4O4/c1-28-17-9-7-15(8-10-17)21-12-18(25)22-23-20(27)14-11-19(26)24(13-14)16-5-3-2-4-6-16/h2-10,14,21H,11-13H2,1H3,(H,22,25)(H,23,27)
InChIKeyZLSTXSRIFFHUDC-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.31
Rot. Bonds6

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

N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide (PubChem CID 55629264) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide
PubChem CID55629264
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C20H22N4O4/c1-28-17-9-7-15(8-10-17)21-12-18(25)22-23-20(27)14-11-19(26)24(13-14)16-5-3-2-4-6-16/h2-10,14,21H,11-13H2,1H3,(H,22,25)(H,23,27)
InChIKeyZLSTXSRIFFHUDC-UHFFFAOYSA-N
XLogP1.31
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 55350881
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51933925
(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40666345
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39349857
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 75493668
(3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 35552842
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
1-(4-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188168

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide (CID 55629264) is N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide is COc1ccc(NCC(=O)NNC(=O)C2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide?
The InChIKey is ZLSTXSRIFFHUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-28-17-9-7-15(8-10-17)21-12-18(25)22-23-20(27)14-11-19(26)24(13-14)16-5-3-2-4-6-16/h2-10,14,21H,11-13H2,1H3,(H,22,25)(H,23,27).
What are the key properties of N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide?
N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide has a molecular weight of 382.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide is sourced from PubChem (CID 55629264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).