2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide

C19H21N3O4 — CID 55407334

IUPAC2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cccc(CN3CCCC3=O)c2)c(C)o1
InChIInChI=1S/C19H21N3O4/c1-12-9-16(13(2)26-12)19(25)21-20-18(24)15-6-3-5-14(10-15)11-22-8-4-7-17(22)23/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyBKJUYHDURRFIIU-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.09
Rot. Bonds4

About 2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide (PubChem CID 55407334) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide
PubChem CID55407334
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cccc(CN3CCCC3=O)c2)c(C)o1
InChIInChI=1S/C19H21N3O4/c1-12-9-16(13(2)26-12)19(25)21-20-18(24)15-6-3-5-14(10-15)11-22-8-4-7-17(22)23/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyBKJUYHDURRFIIU-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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

2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 86981622
2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide
CID 9224313
N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277099
2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide
CID 78866913
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 134062959
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
N-[2-oxo-2-(propylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9163457
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55750325
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9036253
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 39996091
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94815501

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide (CID 55407334) is 2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cccc(CN3CCCC3=O)c2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide?
The InChIKey is BKJUYHDURRFIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12-9-16(13(2)26-12)19(25)21-20-18(24)15-6-3-5-14(10-15)11-22-8-4-7-17(22)23/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide has a molecular weight of 355.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide is sourced from PubChem (CID 55407334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).