N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide

C13H26N2O3 — CID 103718349

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide
SMILESCOCCC(C)(O)CNC(=O)CCN1CCCC1
InChIInChI=1S/C13H26N2O3/c1-13(17,6-10-18-2)11-14-12(16)5-9-15-7-3-4-8-15/h17H,3-11H2,1-2H3,(H,14,16)
InChIKeyLIJZJSNYFXQUTQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.38
Rot. Bonds8

About N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 103718349) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide
PubChem CID103718349
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide
SMILESCOCCC(C)(O)CNC(=O)CCN1CCCC1
InChIInChI=1S/C13H26N2O3/c1-13(17,6-10-18-2)11-14-12(16)5-9-15-7-3-4-8-15/h17H,3-11H2,1-2H3,(H,14,16)
InChIKeyLIJZJSNYFXQUTQ-UHFFFAOYSA-N
XLogP0.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide (CID 103718349) is N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide is COCCC(C)(O)CNC(=O)CCN1CCCC1.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is LIJZJSNYFXQUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(17,6-10-18-2)11-14-12(16)5-9-15-7-3-4-8-15/h17H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 103718349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).