N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide

C21H26N2O2 — CID 70427389

IUPACN-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide
SMILESCc1ccc(C(=O)NN(C(=O)c2cccc(C)c2C)C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-14-10-12-17(13-11-14)19(24)22-23(21(4,5)6)20(25)18-9-7-8-15(2)16(18)3/h7-13H,1-6H3,(H,22,24)
InChIKeyYAAHKODOUBAVKF-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.20
Rot. Bonds2

About N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide

N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide (PubChem CID 70427389) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide
PubChem CID70427389
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide
SMILESCc1ccc(C(=O)NN(C(=O)c2cccc(C)c2C)C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-14-10-12-17(13-11-14)19(24)22-23(21(4,5)6)20(25)18-9-7-8-15(2)16(18)3/h7-13H,1-6H3,(H,22,24)
InChIKeyYAAHKODOUBAVKF-UHFFFAOYSA-N
XLogP4.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide
CID 67921998
N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide
CID 18961985
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide
CID 70427775
N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide
CID 23164438
N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide
CID 139683569
N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide
CID 23200654
N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 70427413
N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide
CID 14626566
N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
CID 70427780
N'-tert-butyl-N'-(3,4-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide
CID 22400604
N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide
CID 134106621

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide?
The IUPAC name of N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide (CID 70427389) is N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide.
What is the SMILES notation for N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide?
The canonical SMILES for N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide is Cc1ccc(C(=O)NN(C(=O)c2cccc(C)c2C)C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide?
The InChIKey is YAAHKODOUBAVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-10-12-17(13-11-14)19(24)22-23(21(4,5)6)20(25)18-9-7-8-15(2)16(18)3/h7-13H,1-6H3,(H,22,24).
What are the key properties of N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide?
N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide has a molecular weight of 338.45 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 70427389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).