4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide

C15H20N2O2 — CID 104625368

IUPAC4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide
SMILESCOCCC(C)(C)CNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-15(2,8-9-19-3)11-17-14(18)13-6-4-12(10-16)5-7-13/h4-7H,8-9,11H2,1-3H3,(H,17,18)
InChIKeyKWMDGQOVTQIMHB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.35
Rot. Bonds6

About 4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide

4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide (PubChem CID 104625368) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide
PubChem CID104625368
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide
SMILESCOCCC(C)(C)CNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-15(2,8-9-19-3)11-17-14(18)13-6-4-12(10-16)5-7-13/h4-7H,8-9,11H2,1-3H3,(H,17,18)
InChIKeyKWMDGQOVTQIMHB-UHFFFAOYSA-N
XLogP2.35
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500924
4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63866133
4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045241
N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
CID 122141755
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide
CID 86793655
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
CID 103772341
4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide
CID 86816052
N-(1-chloro-3-methoxypropan-2-yl)-4-cyanobenzamide
CID 106182364
3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 113434323
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
N-(3-bromo-2,2-dimethylpropyl)-3-cyanobenzamide
CID 115364797
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide?
The IUPAC name of 4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide (CID 104625368) is 4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide.
What is the SMILES notation for 4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide?
The canonical SMILES for 4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide is COCCC(C)(C)CNC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide?
The InChIKey is KWMDGQOVTQIMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,8-9-19-3)11-17-14(18)13-6-4-12(10-16)5-7-13/h4-7H,8-9,11H2,1-3H3,(H,17,18).
What are the key properties of 4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide?
4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide has a molecular weight of 260.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide is sourced from PubChem (CID 104625368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).