N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide

C12H24N2O2 — CID 103728829

IUPACN-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)N1CCC(C)(O)C1
InChIInChI=1S/C12H24N2O2/c1-4-5-7-13-11(15)10(2)14-8-6-12(3,16)9-14/h10,16H,4-9H2,1-3H3,(H,13,15)
InChIKeyBJZMZBAOLATYTL-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.75
Rot. Bonds5

About N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide

N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide (PubChem CID 103728829) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
PubChem CID103728829
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)N1CCC(C)(O)C1
InChIInChI=1S/C12H24N2O2/c1-4-5-7-13-11(15)10(2)14-8-6-12(3,16)9-14/h10,16H,4-9H2,1-3H3,(H,13,15)
InChIKeyBJZMZBAOLATYTL-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.75
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 N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide (CID 103728829) is N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide is CCCCNC(=O)C(C)N1CCC(C)(O)C1.
What is the InChIKey of N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The InChIKey is BJZMZBAOLATYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-7-13-11(15)10(2)14-8-6-12(3,16)9-14/h10,16H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 103728829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).