N-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide

C21H29NO — CID 158122344

IUPACN-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(C)(C)C1C(=O)NCCC1=CCc2ccccc21
InChIInChI=1S/C21H29NO/c1-15-7-6-13-21(2,3)19(15)20(23)22-14-12-17-11-10-16-8-4-5-9-18(16)17/h4-5,8-9,11,15,19H,6-7,10,12-14H2,1-3H3,(H,22,23)
InChIKeyOOFIXLLESTWHDY-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.59
Rot. Bonds4

About N-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide

N-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide (PubChem CID 158122344) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
PubChem CID158122344
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC NameN-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(C)(C)C1C(=O)NCCC1=CCc2ccccc21
InChIInChI=1S/C21H29NO/c1-15-7-6-13-21(2,3)19(15)20(23)22-14-12-17-11-10-16-8-4-5-9-18(16)17/h4-5,8-9,11,15,19H,6-7,10,12-14H2,1-3H3,(H,22,23)
InChIKeyOOFIXLLESTWHDY-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide (CID 158122344) is N-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide is CC1CCCC(C)(C)C1C(=O)NCCC1=CCc2ccccc21.
What is the InChIKey of N-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide?
The InChIKey is OOFIXLLESTWHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-15-7-6-13-21(2,3)19(15)20(23)22-14-12-17-11-10-16-8-4-5-9-18(16)17/h4-5,8-9,11,15,19H,6-7,10,12-14H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide?
N-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-inden-1-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 158122344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).