2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide

C21H43FN2O5 — CID 170007769

IUPAC2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide
SMILESCCCC(CC)C(=O)NCC(F)C(C)(C)OCCOCCOCCOCCNC
InChIInChI=1S/C21H43FN2O5/c1-6-8-18(7-2)20(25)24-17-19(22)21(3,4)29-16-15-28-14-13-27-12-11-26-10-9-23-5/h18-19,23H,6-17H2,1-5H3,(H,24,25)
InChIKeyOHVUBZHBXKVHFL-UHFFFAOYSA-N
MW422.58 g/mol
LogP2.33
Rot. Bonds20

About 2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide

2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide (PubChem CID 170007769) has the molecular formula C21H43FN2O5 and a molecular weight of 422.58 g/mol. Its IUPAC name is 2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide
PubChem CID170007769
Molecular FormulaC21H43FN2O5
Molecular Weight422.58 g/mol
Exact Mass422.32
IUPAC Name2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide
SMILESCCCC(CC)C(=O)NCC(F)C(C)(C)OCCOCCOCCOCCNC
InChIInChI=1S/C21H43FN2O5/c1-6-8-18(7-2)20(25)24-17-19(22)21(3,4)29-16-15-28-14-13-27-12-11-26-10-9-23-5/h18-19,23H,6-17H2,1-5H3,(H,24,25)
InChIKeyOHVUBZHBXKVHFL-UHFFFAOYSA-N
XLogP2.33
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 52.33
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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Related Compounds

ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide
CID 142623147
N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide
CID 155402014
N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 167191784
2-butyl-N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]heptanamide
CID 166678789
N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 166118081
N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide
CID 138727987
N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide
CID 155750887
S-methyl N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]carbamothioate
CID 166118245
N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide
CID 170218773
N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide
CID 166461529
N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide;ethane;molecular hydrogen
CID 142623156
ethane;N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 153390518

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide?
The IUPAC name of 2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide (CID 170007769) is 2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide.
What is the SMILES notation for 2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide?
The canonical SMILES for 2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide is CCCC(CC)C(=O)NCC(F)C(C)(C)OCCOCCOCCOCCNC.
What is the InChIKey of 2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide?
The InChIKey is OHVUBZHBXKVHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43FN2O5/c1-6-8-18(7-2)20(25)24-17-19(22)21(3,4)29-16-15-28-14-13-27-12-11-26-10-9-23-5/h18-19,23H,6-17H2,1-5H3,(H,24,25).
What are the key properties of 2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide?
2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide has a molecular weight of 422.58 g/mol, XLogP of 2.33, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide is sourced from PubChem (CID 170007769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).