N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide

C20H24N4O3 — CID 78814263

IUPACN'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
SMILESCCC(C)c1ccccc1N1CC(C(=O)NNC(=O)c2ccc[nH]2)CC1=O
InChIInChI=1S/C20H24N4O3/c1-3-13(2)15-7-4-5-9-17(15)24-12-14(11-18(24)25)19(26)22-23-20(27)16-8-6-10-21-16/h4-10,13-14,21H,3,11-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyVIUHUNMXWMEQDS-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.34
Rot. Bonds5

About N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide

N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78814263) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78814263
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
SMILESCCC(C)c1ccccc1N1CC(C(=O)NNC(=O)c2ccc[nH]2)CC1=O
InChIInChI=1S/C20H24N4O3/c1-3-13(2)15-7-4-5-9-17(15)24-12-14(11-18(24)25)19(26)22-23-20(27)16-8-6-10-21-16/h4-10,13-14,21H,3,11-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyVIUHUNMXWMEQDS-UHFFFAOYSA-N
XLogP2.34
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-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

1-(2-butan-2-ylphenyl)-N-(1-hydroxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78856916
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 27536786
1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55333082
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42989600
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 2442336
N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 78812975
1-(2-butan-2-ylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 86908073
1-(2-butan-2-ylphenyl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119387824
1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 51181758

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide (CID 78814263) is N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide is CCC(C)c1ccccc1N1CC(C(=O)NNC(=O)c2ccc[nH]2)CC1=O.
What is the InChIKey of N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is VIUHUNMXWMEQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-13(2)15-7-4-5-9-17(15)24-12-14(11-18(24)25)19(26)22-23-20(27)16-8-6-10-21-16/h4-10,13-14,21H,3,11-12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide?
N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 368.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78814263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).