2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide

C13H26N2O2 — CID 113321919

IUPAC2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(O)CC1CCCN1C(C)C(=O)NC(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)14-13(17)11(4)15-7-5-6-12(15)8-10(3)16/h9-12,16H,5-8H2,1-4H3,(H,14,17)
InChIKeyORKXKUAKTMXQEO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.13
Rot. Bonds5

About 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide

2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 113321919) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
PubChem CID113321919
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(O)CC1CCCN1C(C)C(=O)NC(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)14-13(17)11(4)15-7-5-6-12(15)8-10(3)16/h9-12,16H,5-8H2,1-4H3,(H,14,17)
InChIKeyORKXKUAKTMXQEO-UHFFFAOYSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide (CID 113321919) is 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide is CC(O)CC1CCCN1C(C)C(=O)NC(C)C.
What is the InChIKey of 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is ORKXKUAKTMXQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)14-13(17)11(4)15-7-5-6-12(15)8-10(3)16/h9-12,16H,5-8H2,1-4H3,(H,14,17).
What are the key properties of 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide?
2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113321919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).