N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide

C16H30N2O2 — CID 102788933

IUPACN-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCC(C)C1CO)C1CCCCC1
InChIInChI=1S/C16H30N2O2/c1-3-18(14-7-5-4-6-8-14)16(20)11-17-10-9-13(2)15(17)12-19/h13-15,19H,3-12H2,1-2H3
InChIKeyOWPSJDWLMPRPKU-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.87
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide

N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide (PubChem CID 102788933) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
PubChem CID102788933
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCC(C)C1CO)C1CCCCC1
InChIInChI=1S/C16H30N2O2/c1-3-18(14-7-5-4-6-8-14)16(20)11-17-10-9-13(2)15(17)12-19/h13-15,19H,3-12H2,1-2H3
InChIKeyOWPSJDWLMPRPKU-UHFFFAOYSA-N
XLogP1.87
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942251
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide
CID 103441903
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102787968
N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60689929
N-cyclohexyl-N-ethyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 119928234
N-cyclopentyl-N-ethyl-2-piperazin-1-ylacetamide
CID 43541539
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 102788924
4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82906683
N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 98765571
tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 55591816
N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
CID 119906882
2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride
CID 119917689

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide (CID 102788933) is N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide is CCN(C(=O)CN1CCC(C)C1CO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
The InChIKey is OWPSJDWLMPRPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-18(14-7-5-4-6-8-14)16(20)11-17-10-9-13(2)15(17)12-19/h13-15,19H,3-12H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide has a molecular weight of 282.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 102788933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).