2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide

C16H22N2O — CID 155571398

IUPAC2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide
SMILESCC(C)Cc1cc(C#N)cc(C(C)C)c1CC(N)=O
InChIInChI=1S/C16H22N2O/c1-10(2)5-13-6-12(9-17)7-14(11(3)4)15(13)8-16(18)19/h6-7,10-11H,5,8H2,1-4H3,(H2,18,19)
InChIKeySRHDMBHHLQGOBH-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.91
Rot. Bonds5

About 2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide

2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155571398) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound Name2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide
PubChem CID155571398
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide
SMILESCC(C)Cc1cc(C#N)cc(C(C)C)c1CC(N)=O
InChIInChI=1S/C16H22N2O/c1-10(2)5-13-6-12(9-17)7-14(11(3)4)15(13)8-16(18)19/h6-7,10-11H,5,8H2,1-4H3,(H2,18,19)
InChIKeySRHDMBHHLQGOBH-UHFFFAOYSA-N
XLogP2.91
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of 2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide (CID 155571398) is 2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for 2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for 2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide is CC(C)Cc1cc(C#N)cc(C(C)C)c1CC(N)=O.
What is the InChIKey of 2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is SRHDMBHHLQGOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10(2)5-13-6-12(9-17)7-14(11(3)4)15(13)8-16(18)19/h6-7,10-11H,5,8H2,1-4H3,(H2,18,19).
What are the key properties of 2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide?
2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 258.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-2-(2-methylpropyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155571398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).