4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide

C22H26N2O6 — CID 4789040

IUPAC4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(OCC3CCCO3)cc2)cc1OC
InChIInChI=1S/C22H26N2O6/c1-3-28-19-11-8-16(13-20(19)27-2)22(26)24-23-21(25)15-6-9-17(10-7-15)30-14-18-5-4-12-29-18/h6-11,13,18H,3-5,12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFCOSZDIZTMFWDN-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.73
Rot. Bonds8

About 4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide

4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide (PubChem CID 4789040) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
PubChem CID4789040
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(OCC3CCCO3)cc2)cc1OC
InChIInChI=1S/C22H26N2O6/c1-3-28-19-11-8-16(13-20(19)27-2)22(26)24-23-21(25)15-6-9-17(10-7-15)30-14-18-5-4-12-29-18/h6-11,13,18H,3-5,12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFCOSZDIZTMFWDN-UHFFFAOYSA-N
XLogP2.73
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222482
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55747392
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide
CID 2108807
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide
CID 912755
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222499
oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 86913835
2-hydroxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 43016979
2-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 17222475
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide?
The IUPAC name of 4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide (CID 4789040) is 4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide?
The canonical SMILES for 4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccc(OCC3CCCO3)cc2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide?
The InChIKey is FCOSZDIZTMFWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-3-28-19-11-8-16(13-20(19)27-2)22(26)24-23-21(25)15-6-9-17(10-7-15)30-14-18-5-4-12-29-18/h6-11,13,18H,3-5,12,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide?
4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide has a molecular weight of 414.46 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 4789040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).