1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide

C17H16N4O6 — CID 21348404

IUPAC1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide
SMILESO=C(CC(=O)NNC(=O)c1ccccc1O)NNC(=O)c1ccccc1O
InChIInChI=1S/C17H16N4O6/c22-12-7-3-1-5-10(12)16(26)20-18-14(24)9-15(25)19-21-17(27)11-6-2-4-8-13(11)23/h1-8,22-23H,9H2,(H,18,24)(H,19,25)(H,20,26)(H,21,27)
InChIKeyPRAIMTYGRDUKOD-UHFFFAOYSA-N
MW372.34 g/mol
LogP-0.29
Rot. Bonds4

About 1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide

1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide (PubChem CID 21348404) has the molecular formula C17H16N4O6 and a molecular weight of 372.34 g/mol. Its IUPAC name is 1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide.

Molecular Properties

Compound Name1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide
PubChem CID21348404
Molecular FormulaC17H16N4O6
Molecular Weight372.34 g/mol
Exact Mass372.11
IUPAC Name1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide
SMILESO=C(CC(=O)NNC(=O)c1ccccc1O)NNC(=O)c1ccccc1O
InChIInChI=1S/C17H16N4O6/c22-12-7-3-1-5-10(12)16(26)20-18-14(24)9-15(25)19-21-17(27)11-6-2-4-8-13(11)23/h1-8,22-23H,9H2,(H,18,24)(H,19,25)(H,20,26)(H,21,27)
InChIKeyPRAIMTYGRDUKOD-UHFFFAOYSA-N
XLogP-0.29
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N'-propanoylbenzohydrazide
CID 15893878
N'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide
CID 7535148
2-hydroxy-N'-[3-(4-methylphenyl)propanoyl]benzohydrazide
CID 31950720
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-hydroxybenzohydrazide
CID 35515360
5-ethyl-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
CID 60611924
2-tert-butyl-N'-(2-hydroxybenzoyl)benzohydrazide
CID 66844777
2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide
CID 135992560
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2-hydroxybenzohydrazide
CID 7535074
N'-(2,2-dimethylpropyl)-2-hydroxybenzohydrazide
CID 1275966
2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 18109151
2-hydroxy-N'-[4-(methoxymethyl)benzoyl]benzohydrazide
CID 51219078
N'-(1-cyclopropylethenyl)-2-hydroxybenzohydrazide
CID 4641225

Frequently Asked Questions

What is the IUPAC name of 1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide?
The IUPAC name of 1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide (CID 21348404) is 1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide.
What is the SMILES notation for 1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide?
The canonical SMILES for 1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide is O=C(CC(=O)NNC(=O)c1ccccc1O)NNC(=O)c1ccccc1O.
What is the InChIKey of 1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide?
The InChIKey is PRAIMTYGRDUKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O6/c22-12-7-3-1-5-10(12)16(26)20-18-14(24)9-15(25)19-21-17(27)11-6-2-4-8-13(11)23/h1-8,22-23H,9H2,(H,18,24)(H,19,25)(H,20,26)(H,21,27).
What are the key properties of 1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide?
1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide has a molecular weight of 372.34 g/mol, XLogP of -0.29, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide is sourced from PubChem (CID 21348404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).