3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide

C23H22N2O5 — CID 42942639

IUPAC3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1OCC1CCCO1)c1cc2ccccc2cc1O
InChIInChI=1S/C23H22N2O5/c26-20-13-16-7-2-1-6-15(16)12-19(20)23(28)25-24-22(27)18-9-3-4-10-21(18)30-14-17-8-5-11-29-17/h1-4,6-7,9-10,12-13,17,26H,5,8,11,14H2,(H,24,27)(H,25,28)
InChIKeyPIFOUDHMOXBKRX-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.18
Rot. Bonds5

About 3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide

3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide (PubChem CID 42942639) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide.

Molecular Properties

Compound Name3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide
PubChem CID42942639
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1OCC1CCCO1)c1cc2ccccc2cc1O
InChIInChI=1S/C23H22N2O5/c26-20-13-16-7-2-1-6-15(16)12-19(20)23(28)25-24-22(27)18-9-3-4-10-21(18)30-14-17-8-5-11-29-17/h1-4,6-7,9-10,12-13,17,26H,5,8,11,14H2,(H,24,27)(H,25,28)
InChIKeyPIFOUDHMOXBKRX-UHFFFAOYSA-N
XLogP3.18
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide?
The IUPAC name of 3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide (CID 42942639) is 3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide.
What is the SMILES notation for 3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide?
The canonical SMILES for 3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide is O=C(NNC(=O)c1ccccc1OCC1CCCO1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide?
The InChIKey is PIFOUDHMOXBKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c26-20-13-16-7-2-1-6-15(16)12-19(20)23(28)25-24-22(27)18-9-3-4-10-21(18)30-14-17-8-5-11-29-17/h1-4,6-7,9-10,12-13,17,26H,5,8,11,14H2,(H,24,27)(H,25,28).
What are the key properties of 3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide?
3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide has a molecular weight of 406.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-[2-(oxolan-2-ylmethoxy)benzoyl]naphthalene-2-carbohydrazide is sourced from PubChem (CID 42942639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).