N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide

C13H16N2O3 — CID 113233319

IUPACN-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C13H16N2O3/c1-13(2,17-3)12(16)15-10-5-4-6-11(9-10)18-8-7-14/h4-6,9H,8H2,1-3H3,(H,15,16)
InChIKeyPZAGWCHOTQZOCI-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.95
Rot. Bonds5

About N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide

N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide (PubChem CID 113233319) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide
PubChem CID113233319
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C13H16N2O3/c1-13(2,17-3)12(16)15-10-5-4-6-11(9-10)18-8-7-14/h4-6,9H,8H2,1-3H3,(H,15,16)
InChIKeyPZAGWCHOTQZOCI-UHFFFAOYSA-N
XLogP1.95
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-[3-(cyanomethoxy)phenyl]-3,3-dimethylbutanamide
CID 43369167
[3-(cyanomethoxy)phenyl]urea
CID 43369607
1-[3-(cyanomethoxy)phenyl]-3-ethylurea
CID 43175550
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369603
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
2-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 43708782
N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281343
methyl 2-[3-(cyanomethoxy)anilino]propanoate
CID 66172112
4-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 81075432

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide (CID 113233319) is N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1cccc(OCC#N)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide?
The InChIKey is PZAGWCHOTQZOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(2,17-3)12(16)15-10-5-4-6-11(9-10)18-8-7-14/h4-6,9H,8H2,1-3H3,(H,15,16).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide?
N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide has a molecular weight of 248.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 113233319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).