N-(2-cyanopropan-2-yloxy)benzamide

C11H12N2O2 — CID 154461100

IUPACN-(2-cyanopropan-2-yloxy)benzamide
SMILESCC(C)(C#N)ONC(=O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-11(2,8-12)15-13-10(14)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14)
InChIKeyZBMRYDMTKDMWKI-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.65
Rot. Bonds3

About N-(2-cyanopropan-2-yloxy)benzamide

N-(2-cyanopropan-2-yloxy)benzamide (PubChem CID 154461100) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yloxy)benzamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yloxy)benzamide
PubChem CID154461100
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-(2-cyanopropan-2-yloxy)benzamide
SMILESCC(C)(C#N)ONC(=O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-11(2,8-12)15-13-10(14)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14)
InChIKeyZBMRYDMTKDMWKI-UHFFFAOYSA-N
XLogP1.65
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-cyanopropan-2-yloxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide
CID 23582927
N-(2-hydroxy-2-methylpropoxy)benzamide
CID 87971931
N'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide
CID 14280571
benzamido 2-methyl-2-phenylpropanoate
CID 174594755
benzamido 2-amino-3,3-dimethylbutanoate
CID 57023501
benzamido acetate;ethane
CID 91379738
N-(trideuteriomethoxy)benzamide
CID 156666829
N-(2-cyano-3,3-dimethylbutanoyl)benzamide
CID 13449411
(2-hydroxy-2-methylpropyl) 2-benzamidoacetate
CID 134970204
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
N-[(Z)-1-ethoxy-4,4-dimethyl-3-oxopent-1-enyl]benzamide
CID 11492804
acetonitrile;benzoic acid;ethane
CID 143448416

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yloxy)benzamide?
The IUPAC name of N-(2-cyanopropan-2-yloxy)benzamide (CID 154461100) is N-(2-cyanopropan-2-yloxy)benzamide.
What is the SMILES notation for N-(2-cyanopropan-2-yloxy)benzamide?
The canonical SMILES for N-(2-cyanopropan-2-yloxy)benzamide is CC(C)(C#N)ONC(=O)c1ccccc1.
What is the InChIKey of N-(2-cyanopropan-2-yloxy)benzamide?
The InChIKey is ZBMRYDMTKDMWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-11(2,8-12)15-13-10(14)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14).
What are the key properties of N-(2-cyanopropan-2-yloxy)benzamide?
N-(2-cyanopropan-2-yloxy)benzamide has a molecular weight of 204.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yloxy)benzamide is sourced from PubChem (CID 154461100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).