N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide

C25H24N2O4 — CID 17222468

IUPACN'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
SMILESO=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C25H24N2O4/c28-24(20-10-8-19(9-11-20)18-5-2-1-3-6-18)26-27-25(29)21-12-14-22(15-13-21)31-17-23-7-4-16-30-23/h1-3,5-6,8-15,23H,4,7,16-17H2,(H,26,28)(H,27,29)
InChIKeyDQBFKEORHPUPNK-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.99
Rot. Bonds6

About N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide

N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide (PubChem CID 17222468) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
PubChem CID17222468
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC NameN'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
SMILESO=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C25H24N2O4/c28-24(20-10-8-19(9-11-20)18-5-2-1-3-6-18)26-27-25(29)21-12-14-22(15-13-21)31-17-23-7-4-16-30-23/h1-3,5-6,8-15,23H,4,7,16-17H2,(H,26,28)(H,27,29)
InChIKeyDQBFKEORHPUPNK-UHFFFAOYSA-N
XLogP3.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
2-hydroxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 43016979
2-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 17222475
N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-4-phenylbenzamide
CID 4958001
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78814237
3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide
CID 2108807
N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222481
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222238
N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222482
3-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1-benzothiophene-2-carbohydrazide
CID 17222484

Frequently Asked Questions

What is the IUPAC name of N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide?
The IUPAC name of N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide (CID 17222468) is N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide.
What is the SMILES notation for N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide?
The canonical SMILES for N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide is O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide?
The InChIKey is DQBFKEORHPUPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c28-24(20-10-8-19(9-11-20)18-5-2-1-3-6-18)26-27-25(29)21-12-14-22(15-13-21)31-17-23-7-4-16-30-23/h1-3,5-6,8-15,23H,4,7,16-17H2,(H,26,28)(H,27,29).
What are the key properties of N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide?
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide has a molecular weight of 416.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide is sourced from PubChem (CID 17222468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).