N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide

C18H35N3O5 — CID 10133948

IUPACN-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide
SMILESCOCCOCCOCC(=O)N1CCCC1C(=O)NCCCCCCN
InChIInChI=1S/C18H35N3O5/c1-24-11-12-25-13-14-26-15-17(22)21-10-6-7-16(21)18(23)20-9-5-3-2-4-8-19/h16H,2-15,19H2,1H3,(H,20,23)
InChIKeySOIMVWUDDMSCAU-UHFFFAOYSA-N
MW373.49 g/mol
LogP0.29
Rot. Bonds15

About N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide

N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide (PubChem CID 10133948) has the molecular formula C18H35N3O5 and a molecular weight of 373.49 g/mol. Its IUPAC name is N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide
PubChem CID10133948
Molecular FormulaC18H35N3O5
Molecular Weight373.49 g/mol
Exact Mass373.26
IUPAC NameN-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide
SMILESCOCCOCCOCC(=O)N1CCCC1C(=O)NCCCCCCN
InChIInChI=1S/C18H35N3O5/c1-24-11-12-25-13-14-26-15-17(22)21-10-6-7-16(21)18(23)20-9-5-3-2-4-8-19/h16H,2-15,19H2,1H3,(H,20,23)
InChIKeySOIMVWUDDMSCAU-UHFFFAOYSA-N
XLogP0.29
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 50.29
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-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide (CID 10133948) is N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide is COCCOCCOCC(=O)N1CCCC1C(=O)NCCCCCCN.
What is the InChIKey of N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is SOIMVWUDDMSCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O5/c1-24-11-12-25-13-14-26-15-17(22)21-10-6-7-16(21)18(23)20-9-5-3-2-4-8-19/h16H,2-15,19H2,1H3,(H,20,23).
What are the key properties of N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide?
N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 373.49 g/mol, XLogP of 0.29, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10133948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).