N-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide

C17H33N3O5 — CID 10291964

IUPACN-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide
SMILESCOCCOCCOCC(=O)N1CCCC1C(=O)NCCCCCN
InChIInChI=1S/C17H33N3O5/c1-23-10-11-24-12-13-25-14-16(21)20-9-5-6-15(20)17(22)19-8-4-2-3-7-18/h15H,2-14,18H2,1H3,(H,19,22)
InChIKeyGISFBAMTVXPULR-UHFFFAOYSA-N
MW359.47 g/mol
LogP-0.10
Rot. Bonds14

About N-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide

N-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide (PubChem CID 10291964) has the molecular formula C17H33N3O5 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide
PubChem CID10291964
Molecular FormulaC17H33N3O5
Molecular Weight359.47 g/mol
Exact Mass359.24
IUPAC NameN-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide
SMILESCOCCOCCOCC(=O)N1CCCC1C(=O)NCCCCCN
InChIInChI=1S/C17H33N3O5/c1-23-10-11-24-12-13-25-14-16(21)20-9-5-6-15(20)17(22)19-8-4-2-3-7-18/h15H,2-14,18H2,1H3,(H,19,22)
InChIKeyGISFBAMTVXPULR-UHFFFAOYSA-N
XLogP-0.10
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 5-0.10
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 N-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide (CID 10291964) is N-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide is COCCOCCOCC(=O)N1CCCC1C(=O)NCCCCCN.
What is the InChIKey of N-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is GISFBAMTVXPULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O5/c1-23-10-11-24-12-13-25-14-16(21)20-9-5-6-15(20)17(22)19-8-4-2-3-7-18/h15H,2-14,18H2,1H3,(H,19,22).
What are the key properties of N-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide?
N-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of -0.10, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10291964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).