2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide

C15H20N2O2 — CID 115188555

IUPAC2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide
SMILESCOc1ccc(C)cc1N(C)C(=O)C(C#N)C(C)C
InChIInChI=1S/C15H20N2O2/c1-10(2)12(9-16)15(18)17(4)13-8-11(3)6-7-14(13)19-5/h6-8,10,12H,1-5H3
InChIKeySEXHVBYUCVTRSQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.76
Rot. Bonds4

About 2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide

2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide (PubChem CID 115188555) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide
PubChem CID115188555
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide
SMILESCOc1ccc(C)cc1N(C)C(=O)C(C#N)C(C)C
InChIInChI=1S/C15H20N2O2/c1-10(2)12(9-16)15(18)17(4)13-8-11(3)6-7-14(13)19-5/h6-8,10,12H,1-5H3
InChIKeySEXHVBYUCVTRSQ-UHFFFAOYSA-N
XLogP2.76
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide
CID 115171963
3-(2-methoxy-N,5-dimethylanilino)-2-(methylamino)-3-oxopropanoic acid
CID 115189358
3-amino-4-(2-methoxy-N,5-dimethylanilino)-4-oxobutanoic acid
CID 115181262
2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide
CID 62002443
2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 115190160
2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide
CID 115188196
N-(2-methoxy-5-methylphenyl)-N-methyl-2-(methylamino)acetamide
CID 82494481
3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide
CID 115162379
2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol
CID 115137383
(2S)-2-(2-methoxy-N,5-dimethylanilino)butanoic acid
CID 100521470
2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol
CID 115251929
2-cyano-N-(4-fluoro-3-methylphenyl)-N,3-dimethylbutanamide
CID 115188553

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide?
The IUPAC name of 2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide (CID 115188555) is 2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide?
The canonical SMILES for 2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide is COc1ccc(C)cc1N(C)C(=O)C(C#N)C(C)C.
What is the InChIKey of 2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide?
The InChIKey is SEXHVBYUCVTRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)12(9-16)15(18)17(4)13-8-11(3)6-7-14(13)19-5/h6-8,10,12H,1-5H3.
What are the key properties of 2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide?
2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide has a molecular weight of 260.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 115188555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).