N'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide

C23H24N4O3 — CID 55408620

IUPACN'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide
SMILESCCc1ccccc1N1CC(C(=O)NNC(=O)c2cn(C)c3ccccc23)CC1=O
InChIInChI=1S/C23H24N4O3/c1-3-15-8-4-6-10-19(15)27-13-16(12-21(27)28)22(29)24-25-23(30)18-14-26(2)20-11-7-5-9-17(18)20/h4-11,14,16H,3,12-13H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyXRYJYKDIYKWJRB-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.55
Rot. Bonds4

About N'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide

N'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide (PubChem CID 55408620) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide
PubChem CID55408620
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide
SMILESCCc1ccccc1N1CC(C(=O)NNC(=O)c2cn(C)c3ccccc23)CC1=O
InChIInChI=1S/C23H24N4O3/c1-3-15-8-4-6-10-19(15)27-13-16(12-21(27)28)22(29)24-25-23(30)18-14-26(2)20-11-7-5-9-17(18)20/h4-11,14,16H,3,12-13H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyXRYJYKDIYKWJRB-UHFFFAOYSA-N
XLogP2.55
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N'-[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]indole-3-carbohydrazide
CID 37004927
N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide
CID 39312085
(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
(3R)-1-(2-ethylphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9004571
1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 51265881
(3S)-N-ethoxy-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30689983
1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide
CID 40717460
1-[4-[[(1-methylindole-3-carbonyl)amino]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 55614780
N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide
CID 39349849
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide (CID 55408620) is N'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide is CCc1ccccc1N1CC(C(=O)NNC(=O)c2cn(C)c3ccccc23)CC1=O.
What is the InChIKey of N'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide?
The InChIKey is XRYJYKDIYKWJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-3-15-8-4-6-10-19(15)27-13-16(12-21(27)28)22(29)24-25-23(30)18-14-26(2)20-11-7-5-9-17(18)20/h4-11,14,16H,3,12-13H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of N'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide?
N'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide has a molecular weight of 404.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 55408620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).