3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide

C12H15N3O3 — CID 106114168

IUPAC3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide
SMILESCOc1cccc(C#N)c1NC(=O)C(CN)OC
InChIInChI=1S/C12H15N3O3/c1-17-9-5-3-4-8(6-13)11(9)15-12(16)10(7-14)18-2/h3-5,10H,7,14H2,1-2H3,(H,15,16)
InChIKeyPQHOCNYOLRUUBR-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.48
Rot. Bonds5

About 3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide

3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide (PubChem CID 106114168) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide
PubChem CID106114168
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide
SMILESCOc1cccc(C#N)c1NC(=O)C(CN)OC
InChIInChI=1S/C12H15N3O3/c1-17-9-5-3-4-8(6-13)11(9)15-12(16)10(7-14)18-2/h3-5,10H,7,14H2,1-2H3,(H,15,16)
InChIKeyPQHOCNYOLRUUBR-UHFFFAOYSA-N
XLogP0.48
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide
CID 107467870
methyl 3-amino-2-(2-cyano-6-methoxyanilino)propanoate
CID 114242386
3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide
CID 107467787
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107467856
1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide
CID 107467865
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide
CID 106113476
N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide
CID 107468020
2-amino-3-(2-cyano-6-methoxyanilino)propanamide
CID 107468750
2-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)pyridine-4-carboxamide
CID 107467795
1-butyl-3-(2-cyano-6-methoxyphenyl)urea
CID 107467258

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide (CID 106114168) is 3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide is COc1cccc(C#N)c1NC(=O)C(CN)OC.
What is the InChIKey of 3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide?
The InChIKey is PQHOCNYOLRUUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-17-9-5-3-4-8(6-13)11(9)15-12(16)10(7-14)18-2/h3-5,10H,7,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide?
3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide has a molecular weight of 249.27 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide is sourced from PubChem (CID 106114168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).