2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide

C11H12N4O7 — CID 3469130

IUPAC2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCOc1cc(C(=O)NNC(=O)C(N)=O)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H12N4O7/c1-21-7-3-5(6(15(19)20)4-8(7)22-2)10(17)13-14-11(18)9(12)16/h3-4H,1-2H3,(H2,12,16)(H,13,17)(H,14,18)
InChIKeyOCAGIYOSYUUNGG-UHFFFAOYSA-N
MW312.24 g/mol
LogP-1.14
Rot. Bonds4

About 2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide

2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide (PubChem CID 3469130) has the molecular formula C11H12N4O7 and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
PubChem CID3469130
Molecular FormulaC11H12N4O7
Molecular Weight312.24 g/mol
Exact Mass312.07
IUPAC Name2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCOc1cc(C(=O)NNC(=O)C(N)=O)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H12N4O7/c1-21-7-3-5(6(15(19)20)4-8(7)22-2)10(17)13-14-11(18)9(12)16/h3-4H,1-2H3,(H2,12,16)(H,13,17)(H,14,18)
InChIKeyOCAGIYOSYUUNGG-UHFFFAOYSA-N
XLogP-1.14
TPSA162.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-N-[2-(methylamino)propyl]-2-nitrobenzamide
CID 120833156
1-(4,5-dimethoxy-2-nitrophenyl)-2,2,2-trifluoroethanone
CID 112720386
4,5-dimethoxy-N-[3-(methylamino)propyl]-2-nitrobenzamide
CID 43808791
N-(3-aminobutyl)-4,5-dimethoxy-2-nitrobenzamide
CID 63253631
4,5-dimethoxy-N-[(2R)-6-methylheptan-2-yl]-2-nitrobenzamide
CID 7297448
2-amino-1-(4,5-dimethoxy-2-nitrophenyl)ethanone;hydrochloride
CID 117068513
N-(4-bromophenyl)-4,5-dimethoxy-2-nitrobenzamide
CID 1350567
[2-(2-methoxyethylamino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 2438182
3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 3120163
trans-(1S,2R)-2-[[(4,5-dimethoxy-2-nitrobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732295
4,5-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
CID 884052
4-(difluoromethoxy)-N'-[2-(4-fluorophenyl)acetyl]-5-methoxy-2-nitrobenzohydrazide
CID 34569772

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of 2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide (CID 3469130) is 2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for 2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide is COc1cc(C(=O)NNC(=O)C(N)=O)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is OCAGIYOSYUUNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O7/c1-21-7-3-5(6(15(19)20)4-8(7)22-2)10(17)13-14-11(18)9(12)16/h3-4H,1-2H3,(H2,12,16)(H,13,17)(H,14,18).
What are the key properties of 2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide?
2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 312.24 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dimethoxy-2-nitrobenzoyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 3469130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).