N,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide

C24H50N4O8 — CID 18314614

IUPACN,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide
SMILESNCCCOCCOCCOCCCNC(=O)CCC(=O)NCCCOCCOCCOCCCN
InChIInChI=1S/C24H50N4O8/c25-7-1-11-31-15-19-35-21-17-33-13-3-9-27-23(29)5-6-24(30)28-10-4-14-34-18-22-36-20-16-32-12-2-8-26/h1-22,25-26H2,(H,27,29)(H,28,30)
InChIKeyHRZZYHJQDZBVLQ-UHFFFAOYSA-N
MW522.68 g/mol
LogP-0.42
Rot. Bonds29

About N,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide

N,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide (PubChem CID 18314614) has the molecular formula C24H50N4O8 and a molecular weight of 522.68 g/mol. Its IUPAC name is N,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide.

Molecular Properties

Compound NameN,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide
PubChem CID18314614
Molecular FormulaC24H50N4O8
Molecular Weight522.68 g/mol
Exact Mass522.36
IUPAC NameN,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide
SMILESNCCCOCCOCCOCCCNC(=O)CCC(=O)NCCCOCCOCCOCCCN
InChIInChI=1S/C24H50N4O8/c25-7-1-11-31-15-19-35-21-17-33-13-3-9-27-23(29)5-6-24(30)28-10-4-14-34-18-22-36-20-16-32-12-2-8-26/h1-22,25-26H2,(H,27,29)(H,28,30)
InChIKeyHRZZYHJQDZBVLQ-UHFFFAOYSA-N
XLogP-0.42
TPSA165.62 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.68
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide?
The IUPAC name of N,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide (CID 18314614) is N,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide.
What is the SMILES notation for N,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide?
The canonical SMILES for N,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide is NCCCOCCOCCOCCCNC(=O)CCC(=O)NCCCOCCOCCOCCCN.
What is the InChIKey of N,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide?
The InChIKey is HRZZYHJQDZBVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N4O8/c25-7-1-11-31-15-19-35-21-17-33-13-3-9-27-23(29)5-6-24(30)28-10-4-14-34-18-22-36-20-16-32-12-2-8-26/h1-22,25-26H2,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide?
N,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide has a molecular weight of 522.68 g/mol, XLogP of -0.42, 29 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]butanediamide is sourced from PubChem (CID 18314614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).