N'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide

C14H19N3O7 — CID 99794751

IUPACN'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide
SMILESCCOC(C)(OCC)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C14H19N3O7/c1-4-23-14(3,24-5-2)13(20)16-15-12(19)9-7-6-8-10(11(9)18)17(21)22/h6-8,18H,4-5H2,1-3H3,(H,15,19)(H,16,20)
InChIKeyGTPMGZJLKAPFBY-UHFFFAOYSA-N
MW341.32 g/mol
LogP0.85
Rot. Bonds7

About N'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide

N'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide (PubChem CID 99794751) has the molecular formula C14H19N3O7 and a molecular weight of 341.32 g/mol. Its IUPAC name is N'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide
PubChem CID99794751
Molecular FormulaC14H19N3O7
Molecular Weight341.32 g/mol
Exact Mass341.12
IUPAC NameN'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide
SMILESCCOC(C)(OCC)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C14H19N3O7/c1-4-23-14(3,24-5-2)13(20)16-15-12(19)9-7-6-8-10(11(9)18)17(21)22/h6-8,18H,4-5H2,1-3H3,(H,15,19)(H,16,20)
InChIKeyGTPMGZJLKAPFBY-UHFFFAOYSA-N
XLogP0.85
TPSA140.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 20715419
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
CID 58418423
CID 58418423
N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-3-nitrobenzamide
CID 103800350
2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104862632
N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide
CID 102741844
2-hydroxy-3-nitro-N-prop-2-ynylbenzamide
CID 103746299
2-hydroxy-3-nitro-N-octylbenzamide
CID 107076295
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
CID 4948668
N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740871
N'-tert-butyl-2-nitrobenzohydrazide
CID 15617770

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide?
The IUPAC name of N'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide (CID 99794751) is N'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide?
The canonical SMILES for N'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide is CCOC(C)(OCC)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of N'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide?
The InChIKey is GTPMGZJLKAPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O7/c1-4-23-14(3,24-5-2)13(20)16-15-12(19)9-7-6-8-10(11(9)18)17(21)22/h6-8,18H,4-5H2,1-3H3,(H,15,19)(H,16,20).
What are the key properties of N'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide?
N'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide has a molecular weight of 341.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide is sourced from PubChem (CID 99794751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).