N-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide

C20H24N2O3 — CID 101134355

IUPACN-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide
SMILESCc1cc(C)cc(C(=O)N(NC(=O)c2cccc(O)c2)C(C)(C)C)c1
InChIInChI=1S/C20H24N2O3/c1-13-9-14(2)11-16(10-13)19(25)22(20(3,4)5)21-18(24)15-7-6-8-17(23)12-15/h6-12,23H,1-5H3,(H,21,24)
InChIKeyBIYVUUDCQDRCDP-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.59
Rot. Bonds2

About N-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide

N-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide (PubChem CID 101134355) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide
PubChem CID101134355
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide
SMILESCc1cc(C)cc(C(=O)N(NC(=O)c2cccc(O)c2)C(C)(C)C)c1
InChIInChI=1S/C20H24N2O3/c1-13-9-14(2)11-16(10-13)19(25)22(20(3,4)5)21-18(24)15-7-6-8-17(23)12-15/h6-12,23H,1-5H3,(H,21,24)
InChIKeyBIYVUUDCQDRCDP-UHFFFAOYSA-N
XLogP3.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide?
The IUPAC name of N-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide (CID 101134355) is N-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide.
What is the SMILES notation for N-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide?
The canonical SMILES for N-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide is Cc1cc(C)cc(C(=O)N(NC(=O)c2cccc(O)c2)C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide?
The InChIKey is BIYVUUDCQDRCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-9-14(2)11-16(10-13)19(25)22(20(3,4)5)21-18(24)15-7-6-8-17(23)12-15/h6-12,23H,1-5H3,(H,21,24).
What are the key properties of N-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide?
N-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide has a molecular weight of 340.42 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(3-hydroxybenzoyl)-3,5-dimethylbenzohydrazide is sourced from PubChem (CID 101134355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).