N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide

C19H20N2O5 — CID 24979372

IUPACN'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide
SMILESCCOc1ccc(C(=O)CCC(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H20N2O5/c1-2-26-14-9-7-13(8-10-14)16(22)11-12-18(24)20-21-19(25)15-5-3-4-6-17(15)23/h3-10,23H,2,11-12H2,1H3,(H,20,24)(H,21,25)
InChIKeyVHSPZTGEFCPZOL-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.21
Rot. Bonds7

About N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide

N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide (PubChem CID 24979372) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide
PubChem CID24979372
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide
SMILESCCOc1ccc(C(=O)CCC(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H20N2O5/c1-2-26-14-9-7-13(8-10-14)16(22)11-12-18(24)20-21-19(25)15-5-3-4-6-17(15)23/h3-10,23H,2,11-12H2,1H3,(H,20,24)(H,21,25)
InChIKeyVHSPZTGEFCPZOL-UHFFFAOYSA-N
XLogP2.21
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide (CID 24979372) is N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide is CCOc1ccc(C(=O)CCC(=O)NNC(=O)c2ccccc2O)cc1.
What is the InChIKey of N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide?
The InChIKey is VHSPZTGEFCPZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-2-26-14-9-7-13(8-10-14)16(22)11-12-18(24)20-21-19(25)15-5-3-4-6-17(15)23/h3-10,23H,2,11-12H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide?
N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide has a molecular weight of 356.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 24979372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).