N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide

C18H20N2O3 — CID 11045196

IUPACN'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide
SMILESCC(C)(C)C(=O)NNC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)17(22)20-19-16(21)14-11-7-8-12-15(14)23-13-9-5-4-6-10-13/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyPUFZLIJYAHJNOX-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.29
Rot. Bonds3

About N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide

N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide (PubChem CID 11045196) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide
PubChem CID11045196
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide
SMILESCC(C)(C)C(=O)NNC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)17(22)20-19-16(21)14-11-7-8-12-15(14)23-13-9-5-4-6-10-13/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyPUFZLIJYAHJNOX-UHFFFAOYSA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.29
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

N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
CID 4938113
2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide
CID 4927487
N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 78813077
2-phenoxy-N-phenylbenzamide
CID 3402306
N-pentan-3-yl-2-phenoxybenzamide
CID 884731
2-[(2-phenoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 1251991
N-benzhydryl-2-phenoxybenzamide
CID 3401619
benzoic acid;2-phenoxybenzoic acid
CID 160712085
2-phenoxy-N-(4-phenylphenyl)benzamide
CID 7926007
N-(3-acetamidophenyl)-2-phenoxybenzamide
CID 3402859
N-(4-acetylphenyl)-2-phenoxybenzamide
CID 2476949
2-phenoxybenzoic acid;propan-2-ol
CID 159883753

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide?
The IUPAC name of N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide (CID 11045196) is N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide.
What is the SMILES notation for N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide?
The canonical SMILES for N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide is CC(C)(C)C(=O)NNC(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide?
The InChIKey is PUFZLIJYAHJNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(2,3)17(22)20-19-16(21)14-11-7-8-12-15(14)23-13-9-5-4-6-10-13/h4-12H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide?
N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide has a molecular weight of 312.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide is sourced from PubChem (CID 11045196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).