N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide

C21H26N2O2 — CID 70428537

IUPACN'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
SMILESCc1cc(C)cc(C(=O)NN(C(=O)c2cccc(C)c2)C(C)(C)C)c1
InChIInChI=1S/C21H26N2O2/c1-14-8-7-9-17(11-14)20(25)23(21(4,5)6)22-19(24)18-12-15(2)10-16(3)13-18/h7-13H,1-6H3,(H,22,24)
InChIKeyBDIPQXXHXNLOJT-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.20
Rot. Bonds2

About N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide

N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide (PubChem CID 70428537) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
PubChem CID70428537
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
SMILESCc1cc(C)cc(C(=O)NN(C(=O)c2cccc(C)c2)C(C)(C)C)c1
InChIInChI=1S/C21H26N2O2/c1-14-8-7-9-17(11-14)20(25)23(21(4,5)6)22-19(24)18-12-15(2)10-16(3)13-18/h7-13H,1-6H3,(H,22,24)
InChIKeyBDIPQXXHXNLOJT-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-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 70427413
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 70427497
N-tert-butyl-3-methyl-N'-pent-3-ynoylbenzohydrazide
CID 67921840
N'-tert-butyl-N'-(3-methylbenzoyl)-2H-triazole-4-carbohydrazide
CID 15452007
(1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide
CID 88511224
N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 70427476
3-bromo-N-tert-butyl-N'-(3-methylbenzoyl)thiophene-2-carbohydrazide
CID 67899302
N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
CID 118974776
N-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide
CID 67921953
[4-[[tert-butyl-(3,5-dimethylbenzoyl)amino]carbamoyl]phenyl] acetate
CID 19367923
[4-[[tert-butyl-(3,5-dimethylbenzoyl)amino]carbamoyl]-2-formylphenyl]boronic acid
CID 131746766

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide?
The IUPAC name of N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide (CID 70428537) is N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide.
What is the SMILES notation for N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide?
The canonical SMILES for N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide is Cc1cc(C)cc(C(=O)NN(C(=O)c2cccc(C)c2)C(C)(C)C)c1.
What is the InChIKey of N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide?
The InChIKey is BDIPQXXHXNLOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-8-7-9-17(11-14)20(25)23(21(4,5)6)22-19(24)18-12-15(2)10-16(3)13-18/h7-13H,1-6H3,(H,22,24).
What are the key properties of N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide?
N'-tert-butyl-3,5-dimethyl-N'-(3-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-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 70428537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).