N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide

C21H26N2O5 — CID 4822570

IUPACN'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-21(2,3)14-9-7-13(8-10-14)19(24)22-23-20(25)15-11-12-16(26-4)18(28-6)17(15)27-5/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyVRJJYQLZNDQYCA-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.08
Rot. Bonds5

About N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide

N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide (PubChem CID 4822570) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide
PubChem CID4822570
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-21(2,3)14-9-7-13(8-10-14)19(24)22-23-20(25)15-11-12-16(26-4)18(28-6)17(15)27-5/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyVRJJYQLZNDQYCA-UHFFFAOYSA-N
XLogP3.08
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.08
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

2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 7979201
N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide
CID 4805893
N'-(4-tert-butylbenzoyl)-2,4-dimethoxybenzohydrazide
CID 7980035
N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide
CID 8639762
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
4-tert-butyl-N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 4980574
2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid
CID 119254386
4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide
CID 2332529
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
CID 120700996
4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 6868928

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide?
The IUPAC name of N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide (CID 4822570) is N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide.
What is the SMILES notation for N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide?
The canonical SMILES for N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1OC.
What is the InChIKey of N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide?
The InChIKey is VRJJYQLZNDQYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-21(2,3)14-9-7-13(8-10-14)19(24)22-23-20(25)15-11-12-16(26-4)18(28-6)17(15)27-5/h7-12H,1-6H3,(H,22,24)(H,23,25).
What are the key properties of N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide?
N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide has a molecular weight of 386.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide is sourced from PubChem (CID 4822570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).