N-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide

C17H17N3O4 — CID 3117717

IUPACN-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCOc1ccccc1C(=O)NNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C17H17N3O4/c1-24-14-10-6-5-9-13(14)15(21)19-20-17(23)16(22)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyDVOPINUHWGSMQV-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.77
Rot. Bonds4

About N-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide

N-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide (PubChem CID 3117717) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
PubChem CID3117717
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCOc1ccccc1C(=O)NNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C17H17N3O4/c1-24-14-10-6-5-9-13(14)15(21)19-20-17(23)16(22)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyDVOPINUHWGSMQV-UHFFFAOYSA-N
XLogP0.77
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[(2-methoxybenzoyl)amino]thiourea
CID 7977743
2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide
CID 3117713
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
benzyl N-[(2-methoxybenzoyl)amino]carbamate
CID 4935888
N-benzyl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 4930662
N'-(2,2-diphenylacetyl)-2-methoxybenzohydrazide
CID 1049928
N'-(2-methoxybenzoyl)furan-2-carbohydrazide
CID 789942
N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
2-methoxybenzohydrazide
CID 24051
2,3-dimethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 912695
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide (CID 3117717) is N-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide is COc1ccccc1C(=O)NNC(=O)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is DVOPINUHWGSMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-24-14-10-6-5-9-13(14)15(21)19-20-17(23)16(22)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of N-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
N-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 327.34 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 3117717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).