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

C19H35FN2O4 — CID 144515284

IUPAC(2Z)-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-ene-1-carboxamide
SMILESNCCCOCCOCCOCCCNC(=O)C1(F)/C=C\CCCCC1
InChIInChI=1S/C19H35FN2O4/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/h4,8H,1-3,5-7,9-17,21H2,(H,22,23)/b8-4-
InChIKeyAFAMYGXYASLWAR-YWEYNIOJSA-N
MW374.50 g/mol
LogP2.12
Rot. Bonds14

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

(2Z)-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-ene-1-carboxamide (PubChem CID 144515284) has the molecular formula C19H35FN2O4 and a molecular weight of 374.50 g/mol. Its IUPAC name is (2Z)-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-ene-1-carboxamide.

Molecular Properties

Compound Name(2Z)-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-ene-1-carboxamide
PubChem CID144515284
Molecular FormulaC19H35FN2O4
Molecular Weight374.50 g/mol
Exact Mass374.26
IUPAC Name(2Z)-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-ene-1-carboxamide
SMILESNCCCOCCOCCOCCCNC(=O)C1(F)/C=C\CCCCC1
InChIInChI=1S/C19H35FN2O4/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/h4,8H,1-3,5-7,9-17,21H2,(H,22,23)/b8-4-
InChIKeyAFAMYGXYASLWAR-YWEYNIOJSA-N
XLogP2.12
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-ene-1-carboxamide?
The IUPAC name of (2Z)-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-ene-1-carboxamide (CID 144515284) is (2Z)-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-ene-1-carboxamide.
What is the SMILES notation for (2Z)-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-ene-1-carboxamide?
The canonical SMILES for (2Z)-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-ene-1-carboxamide is NCCCOCCOCCOCCCNC(=O)C1(F)/C=C\CCCCC1.
What is the InChIKey of (2Z)-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-ene-1-carboxamide?
The InChIKey is AFAMYGXYASLWAR-YWEYNIOJSA-N. The full InChI is InChI=1S/C19H35FN2O4/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/h4,8H,1-3,5-7,9-17,21H2,(H,22,23)/b8-4-.
What are the key properties of (2Z)-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-ene-1-carboxamide?
(2Z)-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-ene-1-carboxamide has a molecular weight of 374.50 g/mol, XLogP of 2.12, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-ene-1-carboxamide is sourced from PubChem (CID 144515284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).