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

C14H17N3O — CID 114003160

IUPAC3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide
SMILESCc1cccc(NC(=O)CC(N)C2CC2)c1C#N
InChIInChI=1S/C14H17N3O/c1-9-3-2-4-13(11(9)8-15)17-14(18)7-12(16)10-5-6-10/h2-4,10,12H,5-7,16H2,1H3,(H,17,18)
InChIKeyIHGYJTONTDARKS-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.93
Rot. Bonds4

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

3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide (PubChem CID 114003160) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide
PubChem CID114003160
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide
SMILESCc1cccc(NC(=O)CC(N)C2CC2)c1C#N
InChIInChI=1S/C14H17N3O/c1-9-3-2-4-13(11(9)8-15)17-14(18)7-12(16)10-5-6-10/h2-4,10,12H,5-7,16H2,1H3,(H,17,18)
InChIKeyIHGYJTONTDARKS-UHFFFAOYSA-N
XLogP1.93
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide
CID 107805022
4-amino-N-(2-cyano-3-methylphenyl)-3-methoxybutanamide
CID 107805124
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
2-amino-N-(2-cyano-3-methylphenyl)propanamide
CID 107804990
N-(2-cyano-3-methylphenyl)-2-(prop-2-ynylamino)acetamide
CID 114003133
N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide
CID 107801603
4-(2-aminoethyl)-N-(2-cyano-3-methylphenyl)-5-methylhexanamide
CID 107805055
N-(2-cyano-3-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 107799235
N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide
CID 113241608
N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 114003196
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide
CID 107599767

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide?
The IUPAC name of 3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide (CID 114003160) is 3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide.
What is the SMILES notation for 3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide?
The canonical SMILES for 3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide is Cc1cccc(NC(=O)CC(N)C2CC2)c1C#N.
What is the InChIKey of 3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide?
The InChIKey is IHGYJTONTDARKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-3-2-4-13(11(9)8-15)17-14(18)7-12(16)10-5-6-10/h2-4,10,12H,5-7,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide?
3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide has a molecular weight of 243.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide is sourced from PubChem (CID 114003160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).