N-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide

C15H31FN2O4 — CID 169213803

IUPACN-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(F)COCCOCCOC(C)CN
InChIInChI=1S/C15H31FN2O4/c1-4-12(2)15(19)18-10-14(16)11-21-6-5-20-7-8-22-13(3)9-17/h12-14H,4-11,17H2,1-3H3,(H,18,19)
InChIKeyVBPRJRRKVMGDNI-UHFFFAOYSA-N
MW322.42 g/mol
LogP0.88
Rot. Bonds14

About N-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide

N-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide (PubChem CID 169213803) has the molecular formula C15H31FN2O4 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide
PubChem CID169213803
Molecular FormulaC15H31FN2O4
Molecular Weight322.42 g/mol
Exact Mass322.23
IUPAC NameN-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(F)COCCOCCOC(C)CN
InChIInChI=1S/C15H31FN2O4/c1-4-12(2)15(19)18-10-14(16)11-21-6-5-20-7-8-22-13(3)9-17/h12-14H,4-11,17H2,1-3H3,(H,18,19)
InChIKeyVBPRJRRKVMGDNI-UHFFFAOYSA-N
XLogP0.88
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium
CID 155706815
N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylbutanamide
CID 156861015
N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
CID 170442191
N-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide
CID 170250557
N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 147243604
ethane;N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 153390518
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727026
N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium
CID 155739438
N-(3-amino-2-methylpropyl)-2-methylbutanamide
CID 62666098
(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine
CID 102416894
2-(2-propoxyethoxy)propan-1-amine
CID 63686172
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpentanamide
CID 170007437

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide?
The IUPAC name of N-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide (CID 169213803) is N-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide.
What is the SMILES notation for N-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide?
The canonical SMILES for N-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide is CCC(C)C(=O)NCC(F)COCCOCCOC(C)CN.
What is the InChIKey of N-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide?
The InChIKey is VBPRJRRKVMGDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FN2O4/c1-4-12(2)15(19)18-10-14(16)11-21-6-5-20-7-8-22-13(3)9-17/h12-14H,4-11,17H2,1-3H3,(H,18,19).
What are the key properties of N-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide?
N-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide has a molecular weight of 322.42 g/mol, XLogP of 0.88, 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-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide is sourced from PubChem (CID 169213803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).