N-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide

C13H26N2O2 — CID 162476765

IUPACN-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(CCCOC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-11(16)14-12-6-8-15(10-12)7-5-9-17-13(2,3)4/h12H,5-10H2,1-4H3,(H,14,16)
InChIKeyYNQWQSUTUNZTTB-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds5

About N-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide

N-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide (PubChem CID 162476765) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide
PubChem CID162476765
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(CCCOC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-11(16)14-12-6-8-15(10-12)7-5-9-17-13(2,3)4/h12H,5-10H2,1-4H3,(H,14,16)
InChIKeyYNQWQSUTUNZTTB-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
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-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide (CID 162476765) is N-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(CCCOC(C)(C)C)C1.
What is the InChIKey of N-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide?
The InChIKey is YNQWQSUTUNZTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(16)14-12-6-8-15(10-12)7-5-9-17-13(2,3)4/h12H,5-10H2,1-4H3,(H,14,16).
What are the key properties of N-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide?
N-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 162476765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).