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

C19H22N2O3 — CID 4938113

IUPACN'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
SMILESCC(C)(C)C(=O)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)18(23)21-20-17(22)15-11-7-8-12-16(15)24-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyLEIFIHCIABXBNE-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.07
Rot. Bonds4

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

N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide (PubChem CID 4938113) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
PubChem CID4938113
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
SMILESCC(C)(C)C(=O)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)18(23)21-20-17(22)15-11-7-8-12-16(15)24-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyLEIFIHCIABXBNE-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.07
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-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide
CID 11045196
(E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid
CID 6234396
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4938028
2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
CID 5200532
N'-[4-(2-methoxyethoxy)benzoyl]-2-phenylmethoxybenzohydrazide
CID 17353669
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide
CID 17046558
N'-(4-butoxybenzoyl)-2-phenylmethoxybenzohydrazide
CID 4938160
2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17356241

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide?
The IUPAC name of N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide (CID 4938113) is N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide.
What is the SMILES notation for N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide?
The canonical SMILES for N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide is CC(C)(C)C(=O)NNC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide?
The InChIKey is LEIFIHCIABXBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,3)18(23)21-20-17(22)15-11-7-8-12-16(15)24-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide?
N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide has a molecular weight of 326.40 g/mol, XLogP of 3.07, 4 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-phenylmethoxybenzohydrazide is sourced from PubChem (CID 4938113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).