2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide

C20H31NO — CID 171793105

IUPAC2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide
SMILESCc1cc(NC(=O)C(C)(C)C2(C)CCCCC2)cc(C)c1C
InChIInChI=1S/C20H31NO/c1-14-12-17(13-15(2)16(14)3)21-18(22)19(4,5)20(6)10-8-7-9-11-20/h12-13H,7-11H2,1-6H3,(H,21,22)
InChIKeyJPFPHRDCJIIMOV-UHFFFAOYSA-N
MW301.47 g/mol
LogP5.55
Rot. Bonds3

About 2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide

2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide (PubChem CID 171793105) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide
PubChem CID171793105
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide
SMILESCc1cc(NC(=O)C(C)(C)C2(C)CCCCC2)cc(C)c1C
InChIInChI=1S/C20H31NO/c1-14-12-17(13-15(2)16(14)3)21-18(22)19(4,5)20(6)10-8-7-9-11-20/h12-13H,7-11H2,1-6H3,(H,21,22)
InChIKeyJPFPHRDCJIIMOV-UHFFFAOYSA-N
XLogP5.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide?
The IUPAC name of 2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide (CID 171793105) is 2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide.
What is the SMILES notation for 2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide?
The canonical SMILES for 2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide is Cc1cc(NC(=O)C(C)(C)C2(C)CCCCC2)cc(C)c1C.
What is the InChIKey of 2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide?
The InChIKey is JPFPHRDCJIIMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-14-12-17(13-15(2)16(14)3)21-18(22)19(4,5)20(6)10-8-7-9-11-20/h12-13H,7-11H2,1-6H3,(H,21,22).
What are the key properties of 2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide?
2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide has a molecular weight of 301.47 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide is sourced from PubChem (CID 171793105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).