N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide

C13H15N3O — CID 107805022

IUPACN-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide
SMILESCc1cccc(NC(=O)CNC2CC2)c1C#N
InChIInChI=1S/C13H15N3O/c1-9-3-2-4-12(11(9)7-14)16-13(17)8-15-10-5-6-10/h2-4,10,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyBPXMOHDZDVYCMD-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds4

About N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide

N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide (PubChem CID 107805022) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide
PubChem CID107805022
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide
SMILESCc1cccc(NC(=O)CNC2CC2)c1C#N
InChIInChI=1S/C13H15N3O/c1-9-3-2-4-12(11(9)7-14)16-13(17)8-15-10-5-6-10/h2-4,10,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyBPXMOHDZDVYCMD-UHFFFAOYSA-N
XLogP1.56
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide
CID 114003160
N-(2-cyano-3-methylphenyl)-2-(prop-2-ynylamino)acetamide
CID 114003133
N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 114003196
N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide
CID 107801603
2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide
CID 109005556
N-(2-cyano-3-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 107799235
N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide
CID 113241608
2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid
CID 107799973
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
1-(2-cyano-3-methylphenyl)-3-ethylurea
CID 103710079
N-(2-tert-butylphenyl)-2-(cyclopropylamino)acetamide
CID 54773215

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide (CID 107805022) is N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide is Cc1cccc(NC(=O)CNC2CC2)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide?
The InChIKey is BPXMOHDZDVYCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-3-2-4-12(11(9)7-14)16-13(17)8-15-10-5-6-10/h2-4,10,15H,5-6,8H2,1H3,(H,16,17).
What are the key properties of N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide?
N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide has a molecular weight of 229.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 107805022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).