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

C11H13N3O — CID 107804985

IUPACN-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cccc(C)c1C#N
InChIInChI=1S/C11H13N3O/c1-8-4-3-5-10(9(8)6-12)14-11(15)7-13-2/h3-5,13H,7H2,1-2H3,(H,14,15)
InChIKeyWXSRGOUFENGABN-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.02
Rot. Bonds3

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

N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide (PubChem CID 107804985) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
PubChem CID107804985
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cccc(C)c1C#N
InChIInChI=1S/C11H13N3O/c1-8-4-3-5-10(9(8)6-12)14-11(15)7-13-2/h3-5,13H,7H2,1-2H3,(H,14,15)
InChIKeyWXSRGOUFENGABN-UHFFFAOYSA-N
XLogP1.02
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-methylphenyl)-2-(prop-2-ynylamino)acetamide
CID 114003133
N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide
CID 107805022
N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide
CID 107801603
N-(2-cyano-3-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 107799235
2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid
CID 107799973
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
1-(2-cyano-3-methylphenyl)-3-ethylurea
CID 103710079
N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide
CID 113241608
4-amino-N-(2-cyano-3-methylphenyl)-3-methoxybutanamide
CID 107805124
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 N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide (CID 107804985) is N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide is CNCC(=O)Nc1cccc(C)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide?
The InChIKey is WXSRGOUFENGABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-4-3-5-10(9(8)6-12)14-11(15)7-13-2/h3-5,13H,7H2,1-2H3,(H,14,15).
What are the key properties of N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide?
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide has a molecular weight of 203.24 g/mol, XLogP of 1.02, 3 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-(methylamino)acetamide is sourced from PubChem (CID 107804985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).