N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide

C12H24N2O2 — CID 115648230

IUPACN-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCC(CCO)C1
InChIInChI=1S/C12H24N2O2/c1-2-3-6-13-12(16)10-14-7-4-11(9-14)5-8-15/h11,15H,2-10H2,1H3,(H,13,16)
InChIKeyOORMQXCFLGWRNH-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds7

About N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide

N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide (PubChem CID 115648230) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
PubChem CID115648230
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCC(CCO)C1
InChIInChI=1S/C12H24N2O2/c1-2-3-6-13-12(16)10-14-7-4-11(9-14)5-8-15/h11,15H,2-10H2,1H3,(H,13,16)
InChIKeyOORMQXCFLGWRNH-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 115648213
N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847877
methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate
CID 62358151
2-(1-hexylpyrrolidin-3-yl)ethanol
CID 115648154
N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111334118
N-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 97080322
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 115648180
methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
CID 115648226
N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63848436
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 114802680
ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837933

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide (CID 115648230) is N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide is CCCCNC(=O)CN1CCC(CCO)C1.
What is the InChIKey of N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is OORMQXCFLGWRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-6-13-12(16)10-14-7-4-11(9-14)5-8-15/h11,15H,2-10H2,1H3,(H,13,16).
What are the key properties of N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide?
N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 115648230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).