N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide

C20H41FN2O6 — CID 138727784

IUPACN-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(F)C(C)OCCOCCOCCOCCOCCNC
InChIInChI=1S/C20H41FN2O6/c1-5-17(2)20(24)23-16-19(21)18(3)29-15-14-28-13-12-27-11-10-26-9-8-25-7-6-22-4/h17-19,22H,5-16H2,1-4H3,(H,23,24)
InChIKeyGVVAVVDMCMQRMT-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.18
Rot. Bonds21

About N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide

N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide (PubChem CID 138727784) has the molecular formula C20H41FN2O6 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide
PubChem CID138727784
Molecular FormulaC20H41FN2O6
Molecular Weight424.55 g/mol
Exact Mass424.29
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(F)C(C)OCCOCCOCCOCCOCCNC
InChIInChI=1S/C20H41FN2O6/c1-5-17(2)20(24)23-16-19(21)18(3)29-15-14-28-13-12-27-11-10-26-9-8-25-7-6-22-4/h17-19,22H,5-16H2,1-4H3,(H,23,24)
InChIKeyGVVAVVDMCMQRMT-UHFFFAOYSA-N
XLogP1.18
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide (CID 138727784) is N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide is CCC(C)C(=O)NCC(F)C(C)OCCOCCOCCOCCOCCNC.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide?
The InChIKey is GVVAVVDMCMQRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41FN2O6/c1-5-17(2)20(24)23-16-19(21)18(3)29-15-14-28-13-12-27-11-10-26-9-8-25-7-6-22-4/h17-19,22H,5-16H2,1-4H3,(H,23,24).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide?
N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide has a molecular weight of 424.55 g/mol, XLogP of 1.18, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide is sourced from PubChem (CID 138727784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).