N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide

C14H18N2O2 — CID 113460379

IUPACN-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(C#N)cc1OC
InChIInChI=1S/C14H18N2O2/c1-5-14(2,3)13(17)16-11-7-6-10(9-15)8-12(11)18-4/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyWMPHULVFRGOUQR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.94
Rot. Bonds4

About N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide

N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide (PubChem CID 113460379) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
PubChem CID113460379
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(C#N)cc1OC
InChIInChI=1S/C14H18N2O2/c1-5-14(2,3)13(17)16-11-7-6-10(9-15)8-12(11)18-4/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyWMPHULVFRGOUQR-UHFFFAOYSA-N
XLogP2.94
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide
CID 58716032
N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide
CID 62678428
3-(4-cyano-2-methoxyphenyl)-1,1-diethylurea
CID 104844636
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
CID 104849054
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-3-methoxybenzonitrile
CID 104848351
5-(4-cyano-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 104833873
N-(4-cyano-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107035018
N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide
CID 104848764
N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
CID 104848955
1-butyl-3-(4-cyano-2-methoxyphenyl)urea
CID 104844634
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
CID 104848948

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide (CID 113460379) is N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(C#N)cc1OC.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide?
The InChIKey is WMPHULVFRGOUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-5-14(2,3)13(17)16-11-7-6-10(9-15)8-12(11)18-4/h6-8H,5H2,1-4H3,(H,16,17).
What are the key properties of N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide?
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide has a molecular weight of 246.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 113460379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).