2-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide

C19H32N4O3 — CID 58537423

IUPAC2-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide
SMILESCN1CCC[C@H]1c1cncc(CCCNC(=O)COCCOCCN)c1
InChIInChI=1S/C19H32N4O3/c1-23-8-3-5-18(23)17-12-16(13-21-14-17)4-2-7-22-19(24)15-26-11-10-25-9-6-20/h12-14,18H,2-11,15,20H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyMTFYZLGNHRLLQE-SFHVURJKSA-N
MW364.49 g/mol
LogP0.89
Rot. Bonds12

About 2-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide

2-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide (PubChem CID 58537423) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide
PubChem CID58537423
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name2-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide
SMILESCN1CCC[C@H]1c1cncc(CCCNC(=O)COCCOCCN)c1
InChIInChI=1S/C19H32N4O3/c1-23-8-3-5-18(23)17-12-16(13-21-14-17)4-2-7-22-19(24)15-26-11-10-25-9-6-20/h12-14,18H,2-11,15,20H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyMTFYZLGNHRLLQE-SFHVURJKSA-N
XLogP0.89
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide (CID 58537423) is 2-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide is CN1CCC[C@H]1c1cncc(CCCNC(=O)COCCOCCN)c1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide?
The InChIKey is MTFYZLGNHRLLQE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-23-8-3-5-18(23)17-12-16(13-21-14-17)4-2-7-22-19(24)15-26-11-10-25-9-6-20/h12-14,18H,2-11,15,20H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide?
2-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 0.89, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethoxy]-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]acetamide is sourced from PubChem (CID 58537423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).