2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide

C22H30N2O — CID 23571636

IUPAC2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
SMILESCN(C(=O)Cc1cccc2c1C=CC2)C1CCCCC1N1CCCC1
InChIInChI=1S/C22H30N2O/c1-23(20-12-2-3-13-21(20)24-14-4-5-15-24)22(25)16-18-10-6-8-17-9-7-11-19(17)18/h6-8,10-11,20-21H,2-5,9,12-16H2,1H3
InChIKeyPCEIEYFFFKYPIS-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.66
Rot. Bonds4

About 2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide

2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide (PubChem CID 23571636) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
PubChem CID23571636
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
SMILESCN(C(=O)Cc1cccc2c1C=CC2)C1CCCCC1N1CCCC1
InChIInChI=1S/C22H30N2O/c1-23(20-12-2-3-13-21(20)24-14-4-5-15-24)22(25)16-18-10-6-8-17-9-7-11-19(17)18/h6-8,10-11,20-21H,2-5,9,12-16H2,1H3
InChIKeyPCEIEYFFFKYPIS-UHFFFAOYSA-N
XLogP3.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide?
The IUPAC name of 2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide (CID 23571636) is 2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide.
What is the SMILES notation for 2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide?
The canonical SMILES for 2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide is CN(C(=O)Cc1cccc2c1C=CC2)C1CCCCC1N1CCCC1.
What is the InChIKey of 2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide?
The InChIKey is PCEIEYFFFKYPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-23(20-12-2-3-13-21(20)24-14-4-5-15-24)22(25)16-18-10-6-8-17-9-7-11-19(17)18/h6-8,10-11,20-21H,2-5,9,12-16H2,1H3.
What are the key properties of 2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide?
2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide has a molecular weight of 338.50 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide is sourced from PubChem (CID 23571636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).