2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide

C14H18N2O2 — CID 62002443

IUPAC2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide
SMILESCOc1cccc(N(C)C(=O)C(C#N)C(C)C)c1
InChIInChI=1S/C14H18N2O2/c1-10(2)13(9-15)14(17)16(3)11-6-5-7-12(8-11)18-4/h5-8,10,13H,1-4H3
InChIKeyXKEWCLJPNVNAKZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.45
Rot. Bonds4

About 2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide

2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide (PubChem CID 62002443) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide
PubChem CID62002443
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide
SMILESCOc1cccc(N(C)C(=O)C(C#N)C(C)C)c1
InChIInChI=1S/C14H18N2O2/c1-10(2)13(9-15)14(17)16(3)11-6-5-7-12(8-11)18-4/h5-8,10,13H,1-4H3
InChIKeyXKEWCLJPNVNAKZ-UHFFFAOYSA-N
XLogP2.45
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313
3-amino-N-(3-methoxyphenyl)-N,2,2,3-tetramethylbutanamide
CID 65267204
2-cyano-N-(4-fluoro-3-methylphenyl)-N,3-dimethylbutanamide
CID 115188553
2-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methylpropanamide
CID 116677580
2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide
CID 43916072
2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide
CID 115188555
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
(2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide
CID 107145312
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide
CID 62003392

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide?
The IUPAC name of 2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide (CID 62002443) is 2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide?
The canonical SMILES for 2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide is COc1cccc(N(C)C(=O)C(C#N)C(C)C)c1.
What is the InChIKey of 2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide?
The InChIKey is XKEWCLJPNVNAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)13(9-15)14(17)16(3)11-6-5-7-12(8-11)18-4/h5-8,10,13H,1-4H3.
What are the key properties of 2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide?
2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide has a molecular weight of 246.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 62002443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).