N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide

C12H13N3O3 — CID 65472840

IUPACN-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide
SMILESCc1cc(C#N)cc(C)c1OCC(=O)NC(N)=O
InChIInChI=1S/C12H13N3O3/c1-7-3-9(5-13)4-8(2)11(7)18-6-10(16)15-12(14)17/h3-4H,6H2,1-2H3,(H3,14,15,16,17)
InChIKeyXKISMRYADFYGCV-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.75
Rot. Bonds3

About N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide

N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide (PubChem CID 65472840) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide
PubChem CID65472840
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide
SMILESCc1cc(C#N)cc(C)c1OCC(=O)NC(N)=O
InChIInChI=1S/C12H13N3O3/c1-7-3-9(5-13)4-8(2)11(7)18-6-10(16)15-12(14)17/h3-4H,6H2,1-2H3,(H3,14,15,16,17)
InChIKeyXKISMRYADFYGCV-UHFFFAOYSA-N
XLogP0.75
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide 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

2-(4-cyano-2,6-dimethylphenoxy)acetic acid
CID 65455986
2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 65472856
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide
CID 65473029
2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide
CID 65471325
N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide
CID 65471706
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 65470752
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 65472855
methyl 3-(4-cyano-2,6-dimethylphenoxy)-2,2-dimethylpropanoate
CID 79622459
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopropyl-N-methylacetamide
CID 65471703
methyl 3-(4-cyano-2,6-dimethylphenoxy)propanoate
CID 65454282
3,5-dimethyl-4-(2-oxo-3-phenylpropoxy)benzonitrile
CID 65470229

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide (CID 65472840) is N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide is Cc1cc(C#N)cc(C)c1OCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide?
The InChIKey is XKISMRYADFYGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-3-9(5-13)4-8(2)11(7)18-6-10(16)15-12(14)17/h3-4H,6H2,1-2H3,(H3,14,15,16,17).
What are the key properties of N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide?
N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide has a molecular weight of 247.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 65472840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).