N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide

C11H11N3O4 — CID 2492394

IUPACN-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NC(N)=O
InChIInChI=1S/C11H11N3O4/c1-17-9-4-7(5-12)2-3-8(9)18-6-10(15)14-11(13)16/h2-4H,6H2,1H3,(H3,13,14,15,16)
InChIKeyZVZBTPVXSHMFBD-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.14
Rot. Bonds4

About N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide

N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide (PubChem CID 2492394) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
PubChem CID2492394
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC NameN-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NC(N)=O
InChIInChI=1S/C11H11N3O4/c1-17-9-4-7(5-12)2-3-8(9)18-6-10(15)14-11(13)16/h2-4H,6H2,1H3,(H3,13,14,15,16)
InChIKeyZVZBTPVXSHMFBD-UHFFFAOYSA-N
XLogP0.14
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide
CID 41070274
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249131
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 119220599
2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide
CID 30114776
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
3-methoxy-4-(2-oxopentoxy)benzonitrile
CID 62042091
N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide
CID 65472840
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 55309601

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide?
The IUPAC name of N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide (CID 2492394) is N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide is COc1cc(C#N)ccc1OCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide?
The InChIKey is ZVZBTPVXSHMFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-17-9-4-7(5-12)2-3-8(9)18-6-10(15)14-11(13)16/h2-4H,6H2,1H3,(H3,13,14,15,16).
What are the key properties of N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide?
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide has a molecular weight of 249.23 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 2492394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).