N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C28H42N2O — CID 69405095

About N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 69405095) has the molecular formula C28H42N2O and a molecular weight of 422.66 g/mol. Its IUPAC name is N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
• PubChem CID: 69405095
• Molecular Formula: C28H42N2O
• Molecular Weight: 422.66 g/mol
• Exact Mass: 422.33
• IUPAC Name: N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
• SMILES: CC1CCC(C(C)C)C(C(=O)Nc2ccccc2C2CC(C)CCC2(C#N)C(C)C)C1
• InChI: InChI=1S/C28H42N2O/c1-18(2)22-12-11-20(5)15-24(22)27(31)30-26-10-8-7-9-23(26)25-16-21(6)13-14-28(25,17-29)19(3)4/h7-10,18-22,24-25H,11-16H2,1-6H3,(H,30,31)
• InChIKey: DVLSIWHDLPXVJS-UHFFFAOYSA-N
• XLogP: 7.40
• TPSA: 52.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.66
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?

The IUPAC name of N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 69405095) is N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

What is the SMILES notation for N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?

The canonical SMILES for N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(C(C)C)C(C(=O)Nc2ccccc2C2CC(C)CCC2(C#N)C(C)C)C1.

What is the InChIKey of N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?

The InChIKey is DVLSIWHDLPXVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O/c1-18(2)22-12-11-20(5)15-24(22)27(31)30-26-10-8-7-9-23(26)25-16-21(6)13-14-28(25,17-29)19(3)4/h7-10,18-22,24-25H,11-16H2,1-6H3,(H,30,31).

What are the key properties of N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?

N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 422.66 g/mol, XLogP of 7.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 69405095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).