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

C12H14N2O2 — CID 82114035

IUPAC3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccccc1NC(=O)C(C)CC#N
InChIInChI=1S/C12H14N2O2/c1-9(7-8-13)12(15)14-10-5-3-4-6-11(10)16-2/h3-6,9H,7H2,1-2H3,(H,14,15)
InChIKeyKJEHTSQBXKWBPP-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.18
Rot. Bonds4

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

3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide (PubChem CID 82114035) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
PubChem CID82114035
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccccc1NC(=O)C(C)CC#N
InChIInChI=1S/C12H14N2O2/c1-9(7-8-13)12(15)14-10-5-3-4-6-11(10)16-2/h3-6,9H,7H2,1-2H3,(H,14,15)
InChIKeyKJEHTSQBXKWBPP-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyanomethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82180832
2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 55175904
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea
CID 60969499
1-(3-cyanopropyl)-3-(2-methoxyphenyl)urea
CID 62666828
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(2-methoxyphenyl)-3-pent-4-yn-2-ylurea
CID 115662879
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
CID 40932699
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate
CID 7851261
(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 763342

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of 3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide (CID 82114035) is 3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide is COc1ccccc1NC(=O)C(C)CC#N.
What is the InChIKey of 3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide?
The InChIKey is KJEHTSQBXKWBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(7-8-13)12(15)14-10-5-3-4-6-11(10)16-2/h3-6,9H,7H2,1-2H3,(H,14,15).
What are the key properties of 3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide?
3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide has a molecular weight of 218.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 82114035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).