N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide

C25H26N2O3 — CID 139719107

IUPACN-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide
SMILESCC(C)(C)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-24(2,3)27(22(28)19-13-7-4-8-14-19)26-23(29)25(30,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18,30H,1-3H3,(H,26,29)
InChIKeyRXJZMDLIYSUZGQ-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.89
Rot. Bonds4

About N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide

N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide (PubChem CID 139719107) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide
PubChem CID139719107
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide
SMILESCC(C)(C)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-24(2,3)27(22(28)19-13-7-4-8-14-19)26-23(29)25(30,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18,30H,1-3H3,(H,26,29)
InChIKeyRXJZMDLIYSUZGQ-UHFFFAOYSA-N
XLogP3.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.89
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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Related Compounds

2-hydroxy-N',N'-dimethyl-2,2-diphenylacetohydrazide
CID 12885881
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N'-but-2-enoyl-N-tert-butylbenzohydrazide
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N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
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N'-benzoyl-N'-tert-butyl-2-methoxybenzohydrazide
CID 23164410
[2-acetyloxy-4-[benzamido(tert-butyl)carbamoyl]phenyl] acetate
CID 134114626
1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea
CID 134114934
CID 6370700
CID 6370700
N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide
CID 23276721
1-[3-[[benzoyl(tert-butyl)amino]carbamoyl]phenyl]-3-ethylurea
CID 134100555
N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 70427413
N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide
CID 23276915

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide?
The IUPAC name of N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide (CID 139719107) is N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide.
What is the SMILES notation for N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide?
The canonical SMILES for N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide is CC(C)(C)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide?
The InChIKey is RXJZMDLIYSUZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-24(2,3)27(22(28)19-13-7-4-8-14-19)26-23(29)25(30,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18,30H,1-3H3,(H,26,29).
What are the key properties of N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide?
N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide has a molecular weight of 402.49 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide is sourced from PubChem (CID 139719107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).