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

C21H26N2O7 — CID 7972045

IUPAC2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(C)C
InChIInChI=1S/C21H26N2O7/c1-12(2)30-15-9-7-13(11-17(15)27-4)20(24)22-23-21(25)14-8-10-16(26-3)19(29-6)18(14)28-5/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyGJHYXIFPTIXHIJ-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.58
Rot. Bonds8

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

2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide (PubChem CID 7972045) 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-propan-2-yloxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
PubChem CID7972045
Molecular FormulaC21H26N2O7
Molecular Weight418.45 g/mol
Exact Mass418.17
IUPAC Name2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(C)C
InChIInChI=1S/C21H26N2O7/c1-12(2)30-15-9-7-13(11-17(15)27-4)20(24)22-23-21(25)14-8-10-16(26-3)19(29-6)18(14)28-5/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyGJHYXIFPTIXHIJ-UHFFFAOYSA-N
XLogP2.58
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
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'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 26655741
2-methoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)pyridine-3-carbohydrazide
CID 55559824
2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 7979201
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 8621899
2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 46671748
N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide
CID 4805893
N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide
CID 4822570
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide?
The IUPAC name of 2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide (CID 7972045) is 2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide.
What is the SMILES notation for 2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide?
The canonical SMILES for 2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide is COc1cc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(C)C.
What is the InChIKey of 2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide?
The InChIKey is GJHYXIFPTIXHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7/c1-12(2)30-15-9-7-13(11-17(15)27-4)20(24)22-23-21(25)14-8-10-16(26-3)19(29-6)18(14)28-5/h7-12H,1-6H3,(H,22,24)(H,23,25).
What are the key properties of 2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide?
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide has a molecular weight of 418.45 g/mol, XLogP of 2.58, 8 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-propan-2-yloxybenzoyl)benzohydrazide is sourced from PubChem (CID 7972045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).