N'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide

C19H22N4O2 — CID 44764187

IUPACN'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide
SMILESCN(NC(=O)C1CC(=O)N(N(C)c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C19H22N4O2/c1-21(16-9-5-3-6-10-16)20-19(25)15-13-18(24)23(14-15)22(2)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,20,25)
InChIKeyRCWWOWYOZYJJEQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.05
Rot. Bonds5

About N'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide

N'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide (PubChem CID 44764187) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide
PubChem CID44764187
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide
SMILESCN(NC(=O)C1CC(=O)N(N(C)c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C19H22N4O2/c1-21(16-9-5-3-6-10-16)20-19(25)15-13-18(24)23(14-15)22(2)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,20,25)
InChIKeyRCWWOWYOZYJJEQ-UHFFFAOYSA-N
XLogP2.05
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide?
The IUPAC name of N'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide (CID 44764187) is N'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide is CN(NC(=O)C1CC(=O)N(N(C)c2ccccc2)C1)c1ccccc1.
What is the InChIKey of N'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide?
The InChIKey is RCWWOWYOZYJJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-21(16-9-5-3-6-10-16)20-19(25)15-13-18(24)23(14-15)22(2)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,20,25).
What are the key properties of N'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide?
N'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide has a molecular weight of 338.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(N-methylanilino)-5-oxo-N'-phenylpyrrolidine-3-carbohydrazide is sourced from PubChem (CID 44764187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).