N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide

C17H32N2O — CID 119538141

IUPACN-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide
SMILESCC1CC(CC(=O)NCCC2CCNC2)CC(C)(C)C1
InChIInChI=1S/C17H32N2O/c1-13-8-15(11-17(2,3)10-13)9-16(20)19-7-5-14-4-6-18-12-14/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyCDEUERFGEXDKAL-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.95
Rot. Bonds5

About N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide

N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide (PubChem CID 119538141) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide
PubChem CID119538141
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide
SMILESCC1CC(CC(=O)NCCC2CCNC2)CC(C)(C)C1
InChIInChI=1S/C17H32N2O/c1-13-8-15(11-17(2,3)10-13)9-16(20)19-7-5-14-4-6-18-12-14/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyCDEUERFGEXDKAL-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylcyclopentyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536431
2-cyclopropyl-N-(2-piperidin-3-ylethyl)acetamide
CID 63628201
N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
CID 119408980
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 120947279
N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 95180129
2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide
CID 119534347
3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride
CID 119534060
N-(2-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119536748
2-cyclohexyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260693
2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557821
2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155
3-methoxy-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 63630087

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide (CID 119538141) is N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide is CC1CC(CC(=O)NCCC2CCNC2)CC(C)(C)C1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide?
The InChIKey is CDEUERFGEXDKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13-8-15(11-17(2,3)10-13)9-16(20)19-7-5-14-4-6-18-12-14/h13-15,18H,4-12H2,1-3H3,(H,19,20).
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide?
N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide has a molecular weight of 280.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide is sourced from PubChem (CID 119538141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).