N'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide

C25H25N3O2 — CID 9206606

IUPACN'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide
SMILESO=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C25H25N3O2/c29-24-12-7-17-27(24)18-21-13-15-22(16-14-21)25(30)26-28(23-10-5-2-6-11-23)19-20-8-3-1-4-9-20/h1-6,8-11,13-16H,7,12,17-19H2,(H,26,30)
InChIKeyOMCPYVZBVCOVDG-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.16
Rot. Bonds7

About N'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide

N'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide (PubChem CID 9206606) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide
PubChem CID9206606
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide
SMILESO=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C25H25N3O2/c29-24-12-7-17-27(24)18-21-13-15-22(16-14-21)25(30)26-28(23-10-5-2-6-11-23)19-20-8-3-1-4-9-20/h1-6,8-11,13-16H,7,12,17-19H2,(H,26,30)
InChIKeyOMCPYVZBVCOVDG-UHFFFAOYSA-N
XLogP4.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-2-(2-oxopiperidin-1-yl)-N'-phenylacetohydrazide
CID 78865761
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
CID 119137095
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 8937962
N-[2-(dimethylamino)-1-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24504344
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55715224
N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 86990134
N-[cyclopropyl(phenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 46451092
N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24655734
N-[(2R)-2-(diethylamino)-2-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 52524579
4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide?
The IUPAC name of N'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide (CID 9206606) is N'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide.
What is the SMILES notation for N'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide?
The canonical SMILES for N'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide is O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide?
The InChIKey is OMCPYVZBVCOVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24-12-7-17-27(24)18-21-13-15-22(16-14-21)25(30)26-28(23-10-5-2-6-11-23)19-20-8-3-1-4-9-20/h1-6,8-11,13-16H,7,12,17-19H2,(H,26,30).
What are the key properties of N'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide?
N'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide has a molecular weight of 399.49 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide is sourced from PubChem (CID 9206606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).