N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide

C19H33FN2O4 — CID 89389471

IUPACN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide
SMILESNCCCOCCOCCOCCCNC(=O)C1(F)C#CCCCCC1
InChIInChI=1S/C19H33FN2O4/c20-19(8-4-2-1-3-5-9-19)18(23)22-11-7-13-25-15-17-26-16-14-24-12-6-10-21/h1-4,6-8,10-17,21H2,(H,22,23)
InChIKeySVNSZQCCHCZEAY-UHFFFAOYSA-N
MW372.48 g/mol
LogP1.57
Rot. Bonds14

About N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide (PubChem CID 89389471) has the molecular formula C19H33FN2O4 and a molecular weight of 372.48 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide
PubChem CID89389471
Molecular FormulaC19H33FN2O4
Molecular Weight372.48 g/mol
Exact Mass372.24
IUPAC NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide
SMILESNCCCOCCOCCOCCCNC(=O)C1(F)C#CCCCCC1
InChIInChI=1S/C19H33FN2O4/c20-19(8-4-2-1-3-5-9-19)18(23)22-11-7-13-25-15-17-26-16-14-24-12-6-10-21/h1-4,6-8,10-17,21H2,(H,22,23)
InChIKeySVNSZQCCHCZEAY-UHFFFAOYSA-N
XLogP1.57
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide?
The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide (CID 89389471) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide.
What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide?
The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide is NCCCOCCOCCOCCCNC(=O)C1(F)C#CCCCCC1.
What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide?
The InChIKey is SVNSZQCCHCZEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FN2O4/c20-19(8-4-2-1-3-5-9-19)18(23)22-11-7-13-25-15-17-26-16-14-24-12-6-10-21/h1-4,6-8,10-17,21H2,(H,22,23).
What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide?
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide has a molecular weight of 372.48 g/mol, XLogP of 1.57, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide is sourced from PubChem (CID 89389471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).