2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide

C21H26N2O7 — CID 9440197

IUPAC2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2OC)cc1OC
InChIInChI=1S/C21H26N2O7/c1-6-11-30-15-9-7-13(12-17(15)27-3)20(24)22-23-21(25)14-8-10-16(26-2)19(29-5)18(14)28-4/h7-10,12H,6,11H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyWYHBHUNNCDFCNV-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.58
Rot. Bonds9

About 2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide

2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide (PubChem CID 9440197) has the molecular formula C21H26N2O7 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
PubChem CID9440197
Molecular FormulaC21H26N2O7
Molecular Weight418.45 g/mol
Exact Mass418.17
IUPAC Name2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2OC)cc1OC
InChIInChI=1S/C21H26N2O7/c1-6-11-30-15-9-7-13(12-17(15)27-3)20(24)22-23-21(25)14-8-10-16(26-2)19(29-5)18(14)28-4/h7-10,12H,6,11H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyWYHBHUNNCDFCNV-UHFFFAOYSA-N
XLogP2.58
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-difluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440206
N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621941
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide
CID 25443168
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
CID 8621227
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 7979201
N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide
CID 26621803

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide?
The IUPAC name of 2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide (CID 9440197) is 2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide.
What is the SMILES notation for 2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide?
The canonical SMILES for 2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2OC)cc1OC.
What is the InChIKey of 2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide?
The InChIKey is WYHBHUNNCDFCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7/c1-6-11-30-15-9-7-13(12-17(15)27-3)20(24)22-23-21(25)14-8-10-16(26-2)19(29-5)18(14)28-4/h7-10,12H,6,11H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of 2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide?
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide has a molecular weight of 418.45 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide is sourced from PubChem (CID 9440197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).