N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide

C22H26N2O2 — CID 139683585

IUPACN'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide
SMILESC=C(C)c1ccc(C(=O)N(NC(C)(C)C)C(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C22H26N2O2/c1-15(2)17-10-12-18(13-11-17)20(25)24(23-22(4,5)6)21(26)19-9-7-8-16(3)14-19/h7-14,23H,1H2,2-6H3
InChIKeyBUYPSCJTBGZTNK-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.61
Rot. Bonds4

About N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide

N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide (PubChem CID 139683585) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide
PubChem CID139683585
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide
SMILESC=C(C)c1ccc(C(=O)N(NC(C)(C)C)C(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C22H26N2O2/c1-15(2)17-10-12-18(13-11-17)20(25)24(23-22(4,5)6)21(26)19-9-7-8-16(3)14-19/h7-14,23H,1H2,2-6H3
InChIKeyBUYPSCJTBGZTNK-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide?
The IUPAC name of N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide (CID 139683585) is N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide.
What is the SMILES notation for N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide?
The canonical SMILES for N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide is C=C(C)c1ccc(C(=O)N(NC(C)(C)C)C(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide?
The InChIKey is BUYPSCJTBGZTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(2)17-10-12-18(13-11-17)20(25)24(23-22(4,5)6)21(26)19-9-7-8-16(3)14-19/h7-14,23H,1H2,2-6H3.
What are the key properties of N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide?
N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide has a molecular weight of 350.46 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide is sourced from PubChem (CID 139683585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).