N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide

C23H30N2O2 — CID 70427413

IUPACN-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)N(NC(=O)c2ccc(C(C)(C)C)cc2)C(C)(C)C)c1
InChIInChI=1S/C23H30N2O2/c1-16-9-8-10-18(15-16)21(27)25(23(5,6)7)24-20(26)17-11-13-19(14-12-17)22(2,3)4/h8-15H,1-7H3,(H,24,26)
InChIKeyOPACRVNWABDFJP-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.88
Rot. Bonds2

About N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide

N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide (PubChem CID 70427413) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
PubChem CID70427413
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)N(NC(=O)c2ccc(C(C)(C)C)cc2)C(C)(C)C)c1
InChIInChI=1S/C23H30N2O2/c1-16-9-8-10-18(15-16)21(27)25(23(5,6)7)24-20(26)17-11-13-19(14-12-17)22(2,3)4/h8-15H,1-7H3,(H,24,26)
InChIKeyOPACRVNWABDFJP-UHFFFAOYSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.88
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-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 70427497
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 70427476
N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 67935788
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'-pent-3-ynoylbenzohydrazide
CID 67921840
N',4-ditert-butyl-N'-(4-fluorobenzoyl)benzohydrazide;trihydrochloride
CID 70295703
3-bromo-N-tert-butyl-N'-(3-methylbenzoyl)thiophene-2-carbohydrazide
CID 67899302
N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide
CID 23276721
N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide
CID 19368031

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide?
The IUPAC name of N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide (CID 70427413) is N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide.
What is the SMILES notation for N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide?
The canonical SMILES for N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide is Cc1cccc(C(=O)N(NC(=O)c2ccc(C(C)(C)C)cc2)C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide?
The InChIKey is OPACRVNWABDFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16-9-8-10-18(15-16)21(27)25(23(5,6)7)24-20(26)17-11-13-19(14-12-17)22(2,3)4/h8-15H,1-7H3,(H,24,26).
What are the key properties of N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide?
N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide has a molecular weight of 366.51 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide is sourced from PubChem (CID 70427413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).