N-(2-cyano-3-methylphenyl)-2-methylpentanamide

C14H18N2O — CID 113241611

IUPACN-(2-cyano-3-methylphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cccc(C)c1C#N
InChIInChI=1S/C14H18N2O/c1-4-6-11(3)14(17)16-13-8-5-7-10(2)12(13)9-15/h5,7-8,11H,4,6H2,1-3H3,(H,16,17)
InChIKeyHMBDGOXDOGWTIZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.24
Rot. Bonds4

About N-(2-cyano-3-methylphenyl)-2-methylpentanamide

N-(2-cyano-3-methylphenyl)-2-methylpentanamide (PubChem CID 113241611) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-2-methylpentanamide
PubChem CID113241611
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(2-cyano-3-methylphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cccc(C)c1C#N
InChIInChI=1S/C14H18N2O/c1-4-6-11(3)14(17)16-13-8-5-7-10(2)12(13)9-15/h5,7-8,11H,4,6H2,1-3H3,(H,16,17)
InChIKeyHMBDGOXDOGWTIZ-UHFFFAOYSA-N
XLogP3.24
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyano-3-methylphenyl)carbamoylamino]pentanoic acid
CID 107799883
2-amino-N-(2-cyano-3-methylphenyl)propanamide
CID 107804990
3-[(2-cyano-3-methylphenyl)carbamoylamino]hexanoic acid
CID 107799956
1-(2-cyano-3-methylphenyl)-3-ethylurea
CID 103710079
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
N-(2-cyano-3-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 107805244
(2R)-2-[(2-cyano-3-methylphenyl)carbamoylamino]propanoic acid
CID 107799913
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid
CID 107799973
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
4-(2-aminoethyl)-N-(2-cyano-3-methylphenyl)-5-methylhexanamide
CID 107805055

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)-2-methylpentanamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-2-methylpentanamide (CID 113241611) is N-(2-cyano-3-methylphenyl)-2-methylpentanamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-2-methylpentanamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1cccc(C)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-2-methylpentanamide?
The InChIKey is HMBDGOXDOGWTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-6-11(3)14(17)16-13-8-5-7-10(2)12(13)9-15/h5,7-8,11H,4,6H2,1-3H3,(H,16,17).
What are the key properties of N-(2-cyano-3-methylphenyl)-2-methylpentanamide?
N-(2-cyano-3-methylphenyl)-2-methylpentanamide has a molecular weight of 230.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)-2-methylpentanamide is sourced from PubChem (CID 113241611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).