N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide

C11H14N2O3 — CID 90850690

IUPACN'-hydroxy-2,2-dimethyl-N-phenylpropanediamide
SMILESCC(C)(C(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-11(2,10(15)13-16)9(14)12-8-6-4-3-5-7-8/h3-7,16H,1-2H3,(H,12,14)(H,13,15)
InChIKeyBXPZTDIBWFTVDG-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.16
Rot. Bonds3

About N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide

N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide (PubChem CID 90850690) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-N-phenylpropanediamide
PubChem CID90850690
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN'-hydroxy-2,2-dimethyl-N-phenylpropanediamide
SMILESCC(C)(C(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-11(2,10(15)13-16)9(14)12-8-6-4-3-5-7-8/h3-7,16H,1-2H3,(H,12,14)(H,13,15)
InChIKeyBXPZTDIBWFTVDG-UHFFFAOYSA-N
XLogP1.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967157
N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967144
N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967197
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
CID 91131464
CID 91131464
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
CID 108960744
2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963689
2-acetamido-2-methyl-N-phenylpropanamide
CID 67963180
2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108961384
2-fluoro-2-methyl-N-phenylbutanamide
CID 132540278
ethyl 2-methyl-2-(phenylcarbamoyl)butanoate
CID 142008434

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide (CID 90850690) is N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide is CC(C)(C(=O)NO)C(=O)Nc1ccccc1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide?
The InChIKey is BXPZTDIBWFTVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(2,10(15)13-16)9(14)12-8-6-4-3-5-7-8/h3-7,16H,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide?
N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide has a molecular weight of 222.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide is sourced from PubChem (CID 90850690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).