2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide

C20H21N3O3 — CID 9224313

IUPAC2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H21N3O3/c1-14-6-2-3-9-17(14)20(26)22-21-19(25)16-8-4-7-15(12-16)13-23-11-5-10-18(23)24/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,25)(H,22,26)
InChIKeyJLRVKYQCVOYBPA-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.19
Rot. Bonds4

About 2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide

2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide (PubChem CID 9224313) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide
PubChem CID9224313
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H21N3O3/c1-14-6-2-3-9-17(14)20(26)22-21-19(25)16-8-4-7-15(12-16)13-23-11-5-10-18(23)24/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,25)(H,22,26)
InChIKeyJLRVKYQCVOYBPA-UHFFFAOYSA-N
XLogP2.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]benzoyl]furan-3-carbohydrazide
CID 55407334
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide
CID 9224240
2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 51230616
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55750325
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 9373705
N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36662906
N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
(2S)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 45339810
3-[(2-oxopyrrolidin-1-yl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 51229689
3-[(2-oxopyrrolidin-1-yl)methyl]-N-(2-phenylsulfanylethyl)benzamide
CID 9483183

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide (CID 9224313) is 2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide is Cc1ccccc1C(=O)NNC(=O)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of 2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide?
The InChIKey is JLRVKYQCVOYBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-6-2-3-9-17(14)20(26)22-21-19(25)16-8-4-7-15(12-16)13-23-11-5-10-18(23)24/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide?
2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide has a molecular weight of 351.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide is sourced from PubChem (CID 9224313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).