2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide

C15H20N2O — CID 63957387

IUPAC2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)N(C)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O/c1-5-15(2,3)17(4)14(18)10-12-6-8-13(11-16)9-7-12/h6-9H,5,10H2,1-4H3
InChIKeyIMQFAPVDZMTDEE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.75
Rot. Bonds4

About 2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide

2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide (PubChem CID 63957387) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
PubChem CID63957387
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)N(C)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O/c1-5-15(2,3)17(4)14(18)10-12-6-8-13(11-16)9-7-12/h6-9H,5,10H2,1-4H3
InChIKeyIMQFAPVDZMTDEE-UHFFFAOYSA-N
XLogP2.75
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63960210
2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide
CID 113231690
2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
CID 62404728
2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692010
2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide
CID 62403845
2-(4-cyanophenyl)-N-(2-ethoxy-2-methylpropyl)acetamide
CID 114942410
2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide
CID 63611364
2-(4-cyanophenyl)-N-methyl-N-(2-methylphenyl)acetamide
CID 63613721
2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113476089
2-(4-cyanophenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62404725
2-(4-cyanophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 62404901
3-methyl-3-[methyl-[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 110834679

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide (CID 63957387) is 2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)N(C)C(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is IMQFAPVDZMTDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-15(2,3)17(4)14(18)10-12-6-8-13(11-16)9-7-12/h6-9H,5,10H2,1-4H3.
What are the key properties of 2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide?
2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 244.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 63957387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).