N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide

C24H30N4O6 — CID 56502479

IUPACN'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide
SMILESCOc1cc(N2CC(C(=O)NNC(=O)CNc3ccc(C)cc3C)CC2=O)cc(OC)c1OC
InChIInChI=1S/C24H30N4O6/c1-14-6-7-18(15(2)8-14)25-12-21(29)26-27-24(31)16-9-22(30)28(13-16)17-10-19(32-3)23(34-5)20(11-17)33-4/h6-8,10-11,16,25H,9,12-13H2,1-5H3,(H,26,29)(H,27,31)
InChIKeySCAKMGSQAYJCKU-UHFFFAOYSA-N
MW470.53 g/mol
LogP1.94
Rot. Bonds8

About N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide

N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide (PubChem CID 56502479) has the molecular formula C24H30N4O6 and a molecular weight of 470.53 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide
PubChem CID56502479
Molecular FormulaC24H30N4O6
Molecular Weight470.53 g/mol
Exact Mass470.22
IUPAC NameN'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide
SMILESCOc1cc(N2CC(C(=O)NNC(=O)CNc3ccc(C)cc3C)CC2=O)cc(OC)c1OC
InChIInChI=1S/C24H30N4O6/c1-14-6-7-18(15(2)8-14)25-12-21(29)26-27-24(31)16-9-22(30)28(13-16)17-10-19(32-3)23(34-5)20(11-17)33-4/h6-8,10-11,16,25H,9,12-13H2,1-5H3,(H,26,29)(H,27,31)
InChIKeySCAKMGSQAYJCKU-UHFFFAOYSA-N
XLogP1.94
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide with MolForge

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Related Compounds

methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate
CID 55609562
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190723
N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55780336
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 7438951
(3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 38002802
1-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573632
(3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 39299821
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55583210
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 119608369

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide (CID 56502479) is N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide is COc1cc(N2CC(C(=O)NNC(=O)CNc3ccc(C)cc3C)CC2=O)cc(OC)c1OC.
What is the InChIKey of N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide?
The InChIKey is SCAKMGSQAYJCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O6/c1-14-6-7-18(15(2)8-14)25-12-21(29)26-27-24(31)16-9-22(30)28(13-16)17-10-19(32-3)23(34-5)20(11-17)33-4/h6-8,10-11,16,25H,9,12-13H2,1-5H3,(H,26,29)(H,27,31).
What are the key properties of N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide?
N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide has a molecular weight of 470.53 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide is sourced from PubChem (CID 56502479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).