2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide

C18H20N2O5 — CID 7979201

IUPAC2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)c(OC)c1OC
InChIInChI=1S/C18H20N2O5/c1-11-5-7-12(8-6-11)17(21)19-20-18(22)13-9-10-14(23-2)16(25-4)15(13)24-3/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyHYAUHEJJQKTERV-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.10
Rot. Bonds5

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

2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide (PubChem CID 7979201) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide
PubChem CID7979201
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)c(OC)c1OC
InChIInChI=1S/C18H20N2O5/c1-11-5-7-12(8-6-11)17(21)19-20-18(22)13-9-10-14(23-2)16(25-4)15(13)24-3/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyHYAUHEJJQKTERV-UHFFFAOYSA-N
XLogP2.10
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.10
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

N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide
CID 4805893
N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide
CID 4822570
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9366541
2-methoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide
CID 4980698
3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide
CID 2352026
1-(2,3-dimethylphenyl)-3-[(2,3,4-trimethoxybenzoyl)amino]thiourea
CID 7923424
3,4,5-trimethoxy-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 9366092
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 110509184

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide?
The IUPAC name of 2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide (CID 7979201) is 2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide.
What is the SMILES notation for 2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide?
The canonical SMILES for 2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide?
The InChIKey is HYAUHEJJQKTERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11-5-7-12(8-6-11)17(21)19-20-18(22)13-9-10-14(23-2)16(25-4)15(13)24-3/h5-10H,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide?
2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide has a molecular weight of 344.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 7979201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).