3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide

C12H14N2O2 — CID 82127316

IUPAC3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)CC(C#N)c1ccccc1OC
InChIInChI=1S/C12H14N2O2/c1-14-12(15)7-9(8-13)10-5-3-4-6-11(10)16-2/h3-6,9H,7H2,1-2H3,(H,14,15)
InChIKeyXKSHRZSEJVZMCV-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.44
Rot. Bonds4

About 3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide

3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide (PubChem CID 82127316) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide
PubChem CID82127316
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)CC(C#N)c1ccccc1OC
InChIInChI=1S/C12H14N2O2/c1-14-12(15)7-9(8-13)10-5-3-4-6-11(10)16-2/h3-6,9H,7H2,1-2H3,(H,14,15)
InChIKeyXKSHRZSEJVZMCV-UHFFFAOYSA-N
XLogP1.44
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-cyano-3-(2-methoxyphenyl)propanoate
CID 112508157
3-amino-2-(2-methoxyphenyl)propanenitrile
CID 82503443
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
(3R)-3-(2-methoxyphenyl)-N-methylhex-5-enamide
CID 10537602
4-[2-cyano-2-(2-methoxyphenyl)ethyl]benzoic acid
CID 82139690
2-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]propanedinitrile
CID 5087729
tert-butyl 4-cyano-4-(2-methoxyphenyl)butanoate
CID 142451263
(2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile
CID 93260273
2-(2-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid
CID 112516272
3-cyano-3-(2,5-dimethoxyphenyl)propanoic acid
CID 82129347
2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide
CID 114232067
2-cyano-2-(2-methoxyphenyl)acetamide
CID 16762344

Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of 3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide (CID 82127316) is 3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide is CNC(=O)CC(C#N)c1ccccc1OC.
What is the InChIKey of 3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide?
The InChIKey is XKSHRZSEJVZMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14-12(15)7-9(8-13)10-5-3-4-6-11(10)16-2/h3-6,9H,7H2,1-2H3,(H,14,15).
What are the key properties of 3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide?
3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide has a molecular weight of 218.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 82127316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).