2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide

C13H26N2O2 — CID 103728903

IUPAC2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N1CCC(C)(O)C1
InChIInChI=1S/C13H26N2O2/c1-4-5-6-8-14-12(16)11(2)15-9-7-13(3,17)10-15/h11,17H,4-10H2,1-3H3,(H,14,16)
InChIKeyNUTCOQROQKZDRU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds6

About 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide

2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide (PubChem CID 103728903) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide
PubChem CID103728903
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N1CCC(C)(O)C1
InChIInChI=1S/C13H26N2O2/c1-4-5-6-8-14-12(16)11(2)15-9-7-13(3,17)10-15/h11,17H,4-10H2,1-3H3,(H,14,16)
InChIKeyNUTCOQROQKZDRU-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.14
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide?
The IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide (CID 103728903) is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide.
What is the SMILES notation for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide?
The canonical SMILES for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide is CCCCCNC(=O)C(C)N1CCC(C)(O)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide?
The InChIKey is NUTCOQROQKZDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-5-6-8-14-12(16)11(2)15-9-7-13(3,17)10-15/h11,17H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide?
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide is sourced from PubChem (CID 103728903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).