N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide

C24H24N2O5 — CID 17222481

IUPACN'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C24H24N2O5/c27-23(16-31-21-12-7-17-4-1-2-5-19(17)14-21)25-26-24(28)18-8-10-20(11-9-18)30-15-22-6-3-13-29-22/h1-2,4-5,7-12,14,22H,3,6,13,15-16H2,(H,25,27)(H,26,28)
InChIKeyXCKRTUVTAIRLHY-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.24
Rot. Bonds7

About N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide

N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide (PubChem CID 17222481) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide
PubChem CID17222481
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C24H24N2O5/c27-23(16-31-21-12-7-17-4-1-2-5-19(17)14-21)25-26-24(28)18-8-10-20(11-9-18)30-15-22-6-3-13-29-22/h1-2,4-5,7-12,14,22H,3,6,13,15-16H2,(H,25,27)(H,26,28)
InChIKeyXCKRTUVTAIRLHY-UHFFFAOYSA-N
XLogP3.24
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-yloxy-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295169
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
2-hydroxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 43016979
N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222482
2-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 17222475
3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide
CID 2108807
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222513
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41320310
4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide?
The IUPAC name of N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide (CID 17222481) is N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide.
What is the SMILES notation for N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide?
The canonical SMILES for N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide is O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide?
The InChIKey is XCKRTUVTAIRLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c27-23(16-31-21-12-7-17-4-1-2-5-19(17)14-21)25-26-24(28)18-8-10-20(11-9-18)30-15-22-6-3-13-29-22/h1-2,4-5,7-12,14,22H,3,6,13,15-16H2,(H,25,27)(H,26,28).
What are the key properties of N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide?
N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide has a molecular weight of 420.47 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide is sourced from PubChem (CID 17222481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).