N'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide

C19H21N3O4 — CID 166231533

IUPACN'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)o1
InChIInChI=1S/C19H21N3O4/c1-12-8-9-16(26-12)19(25)21-20-18(24)15-10-17(23)22(11-15)13(2)14-6-4-3-5-7-14/h3-9,13,15H,10-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyHEPUVROCRKQESM-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.96
Rot. Bonds4

About N'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide

N'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide (PubChem CID 166231533) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide
PubChem CID166231533
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)o1
InChIInChI=1S/C19H21N3O4/c1-12-8-9-16(26-12)19(25)21-20-18(24)15-10-17(23)22(11-15)13(2)14-6-4-3-5-7-14/h3-9,13,15H,10-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyHEPUVROCRKQESM-UHFFFAOYSA-N
XLogP1.96
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.96
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

6-methyl-N'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]pyridine-2-carbohydrazide
CID 166221985
N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 3160086
(3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 124523029
2-methyl-5-[[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 119226741
(3R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 7394287
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802
N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540941
(3S)-N-(3-methylphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004758
5-oxo-1-(1-phenylethyl)-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113183406
(2R)-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119367171
N-[2-(4-aminophenyl)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 119547411
N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 2964380

Frequently Asked Questions

What is the IUPAC name of N'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide?
The IUPAC name of N'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide (CID 166231533) is N'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide is Cc1ccc(C(=O)NNC(=O)C2CC(=O)N(C(C)c3ccccc3)C2)o1.
What is the InChIKey of N'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide?
The InChIKey is HEPUVROCRKQESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12-8-9-16(26-12)19(25)21-20-18(24)15-10-17(23)22(11-15)13(2)14-6-4-3-5-7-14/h3-9,13,15H,10-11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide?
N'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide has a molecular weight of 355.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methylfuran-2-carbonyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbohydrazide is sourced from PubChem (CID 166231533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).