2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide

C22H29N3O — CID 154361288

IUPAC2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide
SMILESCc1cccc(NC(C)(CC2(c3ccccn3)CCCCC2)C(N)=O)c1
InChIInChI=1S/C22H29N3O/c1-17-9-8-10-18(15-17)25-21(2,20(23)26)16-22(12-5-3-6-13-22)19-11-4-7-14-24-19/h4,7-11,14-15,25H,3,5-6,12-13,16H2,1-2H3,(H2,23,26)
InChIKeyHJUCSCAZTGISQZ-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.34
Rot. Bonds6

About 2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide

2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide (PubChem CID 154361288) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide
PubChem CID154361288
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide
SMILESCc1cccc(NC(C)(CC2(c3ccccn3)CCCCC2)C(N)=O)c1
InChIInChI=1S/C22H29N3O/c1-17-9-8-10-18(15-17)25-21(2,20(23)26)16-22(12-5-3-6-13-22)19-11-4-7-14-24-19/h4,7-11,14-15,25H,3,5-6,12-13,16H2,1-2H3,(H2,23,26)
InChIKeyHJUCSCAZTGISQZ-UHFFFAOYSA-N
XLogP4.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide?
The IUPAC name of 2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide (CID 154361288) is 2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide.
What is the SMILES notation for 2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide?
The canonical SMILES for 2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide is Cc1cccc(NC(C)(CC2(c3ccccn3)CCCCC2)C(N)=O)c1.
What is the InChIKey of 2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide?
The InChIKey is HJUCSCAZTGISQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17-9-8-10-18(15-17)25-21(2,20(23)26)16-22(12-5-3-6-13-22)19-11-4-7-14-24-19/h4,7-11,14-15,25H,3,5-6,12-13,16H2,1-2H3,(H2,23,26).
What are the key properties of 2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide?
2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide has a molecular weight of 351.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide is sourced from PubChem (CID 154361288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).