N-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide

C18H37N3O5 — CID 10134065

IUPACN-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide
SMILESCOCCOCCOCC(=O)N(C)C(C(=O)NCCCCCN)C(C)C
InChIInChI=1S/C18H37N3O5/c1-15(2)17(18(23)20-9-7-5-6-8-19)21(3)16(22)14-26-13-12-25-11-10-24-4/h15,17H,5-14,19H2,1-4H3,(H,20,23)
InChIKeyFDAOFXXXGVOHEU-UHFFFAOYSA-N
MW375.51 g/mol
LogP0.39
Rot. Bonds16

About N-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide

N-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide (PubChem CID 10134065) has the molecular formula C18H37N3O5 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide
PubChem CID10134065
Molecular FormulaC18H37N3O5
Molecular Weight375.51 g/mol
Exact Mass375.27
IUPAC NameN-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide
SMILESCOCCOCCOCC(=O)N(C)C(C(=O)NCCCCCN)C(C)C
InChIInChI=1S/C18H37N3O5/c1-15(2)17(18(23)20-9-7-5-6-8-19)21(3)16(22)14-26-13-12-25-11-10-24-4/h15,17H,5-14,19H2,1-4H3,(H,20,23)
InChIKeyFDAOFXXXGVOHEU-UHFFFAOYSA-N
XLogP0.39
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 50.39
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)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide?
The IUPAC name of N-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide (CID 10134065) is N-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide.
What is the SMILES notation for N-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide?
The canonical SMILES for N-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide is COCCOCCOCC(=O)N(C)C(C(=O)NCCCCCN)C(C)C.
What is the InChIKey of N-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide?
The InChIKey is FDAOFXXXGVOHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O5/c1-15(2)17(18(23)20-9-7-5-6-8-19)21(3)16(22)14-26-13-12-25-11-10-24-4/h15,17H,5-14,19H2,1-4H3,(H,20,23).
What are the key properties of N-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide?
N-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide has a molecular weight of 375.51 g/mol, XLogP of 0.39, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide is sourced from PubChem (CID 10134065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).