2-amino-N-(2-cyano-3-methylphenyl)propanamide

C11H13N3O — CID 107804990

IUPAC2-amino-N-(2-cyano-3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)N)c1C#N
InChIInChI=1S/C11H13N3O/c1-7-4-3-5-10(9(7)6-12)14-11(15)8(2)13/h3-5,8H,13H2,1-2H3,(H,14,15)
InChIKeyDBVPDOYCKASWDA-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.15
Rot. Bonds2

About 2-amino-N-(2-cyano-3-methylphenyl)propanamide

2-amino-N-(2-cyano-3-methylphenyl)propanamide (PubChem CID 107804990) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-amino-N-(2-cyano-3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyano-3-methylphenyl)propanamide
PubChem CID107804990
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-amino-N-(2-cyano-3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)N)c1C#N
InChIInChI=1S/C11H13N3O/c1-7-4-3-5-10(9(7)6-12)14-11(15)8(2)13/h3-5,8H,13H2,1-2H3,(H,14,15)
InChIKeyDBVPDOYCKASWDA-UHFFFAOYSA-N
XLogP1.15
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-methylphenyl)-2-methylpentanamide
CID 113241611
2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide
CID 107805098
N-(2-cyano-3-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 107805244
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
(2R)-2-[(2-cyano-3-methylphenyl)carbamoylamino]propanoic acid
CID 107799913
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
1-(2-cyano-3-methylphenyl)-3-ethylurea
CID 103710079
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid
CID 107799973
4-(2-aminoethyl)-N-(2-cyano-3-methylphenyl)-5-methylhexanamide
CID 107805055
3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide
CID 114003160

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyano-3-methylphenyl)propanamide?
The IUPAC name of 2-amino-N-(2-cyano-3-methylphenyl)propanamide (CID 107804990) is 2-amino-N-(2-cyano-3-methylphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-cyano-3-methylphenyl)propanamide?
The canonical SMILES for 2-amino-N-(2-cyano-3-methylphenyl)propanamide is Cc1cccc(NC(=O)C(C)N)c1C#N.
What is the InChIKey of 2-amino-N-(2-cyano-3-methylphenyl)propanamide?
The InChIKey is DBVPDOYCKASWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-4-3-5-10(9(7)6-12)14-11(15)8(2)13/h3-5,8H,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(2-cyano-3-methylphenyl)propanamide?
2-amino-N-(2-cyano-3-methylphenyl)propanamide has a molecular weight of 203.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyano-3-methylphenyl)propanamide is sourced from PubChem (CID 107804990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).