N'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide

C26H30N4O4 — CID 24644365

IUPACN'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide
SMILESCCCCN1C(=O)CC(C(=O)NNC(=O)c2cn(C)c3ccccc23)C1c1ccc(OC)cc1
InChIInChI=1S/C26H30N4O4/c1-4-5-14-30-23(31)15-20(24(30)17-10-12-18(34-3)13-11-17)25(32)27-28-26(33)21-16-29(2)22-9-7-6-8-19(21)22/h6-13,16,20,24H,4-5,14-15H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyZCQZAMXXRZQHRW-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.34
Rot. Bonds7

About N'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide

N'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide (PubChem CID 24644365) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide
PubChem CID24644365
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide
SMILESCCCCN1C(=O)CC(C(=O)NNC(=O)c2cn(C)c3ccccc23)C1c1ccc(OC)cc1
InChIInChI=1S/C26H30N4O4/c1-4-5-14-30-23(31)15-20(24(30)17-10-12-18(34-3)13-11-17)25(32)27-28-26(33)21-16-29(2)22-9-7-6-8-19(21)22/h6-13,16,20,24H,4-5,14-15H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyZCQZAMXXRZQHRW-UHFFFAOYSA-N
XLogP3.34
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-N'-(3-chlorobenzoyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46636225
(2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51982983
(2S,3S)-1-butyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51982985
1-butyl-N-ethyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51180359
(2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 30476387
1-butyl-N-ethoxy-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43048037
(2S,3S)-1-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 30545645
1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24641086
1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 134005728
1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18224722
1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 18164671
(2S,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 8893031

Frequently Asked Questions

What is the IUPAC name of N'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide (CID 24644365) is N'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide is CCCCN1C(=O)CC(C(=O)NNC(=O)c2cn(C)c3ccccc23)C1c1ccc(OC)cc1.
What is the InChIKey of N'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide?
The InChIKey is ZCQZAMXXRZQHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-4-5-14-30-23(31)15-20(24(30)17-10-12-18(34-3)13-11-17)25(32)27-28-26(33)21-16-29(2)22-9-7-6-8-19(21)22/h6-13,16,20,24H,4-5,14-15H2,1-3H3,(H,27,32)(H,28,33).
What are the key properties of N'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide?
N'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide has a molecular weight of 462.55 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 24644365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).