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

C14H28N2O2 — CID 115647932

IUPAC2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N1CCC(CCO)C1
InChIInChI=1S/C14H28N2O2/c1-3-4-5-8-15-14(18)12(2)16-9-6-13(11-16)7-10-17/h12-13,17H,3-11H2,1-2H3,(H,15,18)
InChIKeyCCPZHTFZJAFXMZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.39
Rot. Bonds8

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

2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide (PubChem CID 115647932) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide
PubChem CID115647932
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N1CCC(CCO)C1
InChIInChI=1S/C14H28N2O2/c1-3-4-5-8-15-14(18)12(2)16-9-6-13(11-16)7-10-17/h12-13,17H,3-11H2,1-2H3,(H,15,18)
InChIKeyCCPZHTFZJAFXMZ-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.39
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

N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62370682
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-propylpropanamide
CID 62358014
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 114802599
2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897
2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide
CID 63596247
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide
CID 114802683
N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204053
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide
CID 80553344
N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648230
N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 55086301

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide?
The IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide (CID 115647932) is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide?
The canonical SMILES for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide is CCCCCNC(=O)C(C)N1CCC(CCO)C1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide?
The InChIKey is CCPZHTFZJAFXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-4-5-8-15-14(18)12(2)16-9-6-13(11-16)7-10-17/h12-13,17H,3-11H2,1-2H3,(H,15,18).
What are the key properties of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide?
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide is sourced from PubChem (CID 115647932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).