N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide

C15H29FN2O5 — CID 142623180

IUPACN-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCNC(=O)COC(C)C
InChIInChI=1S/C15H29FN2O5/c1-4-14(19)18-9-13(16)10-22-8-7-21-6-5-17-15(20)11-23-12(2)3/h12-13H,4-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyMXCFQDSYJBPJNV-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.43
Rot. Bonds14

About N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide

N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide (PubChem CID 142623180) has the molecular formula C15H29FN2O5 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide
PubChem CID142623180
Molecular FormulaC15H29FN2O5
Molecular Weight336.40 g/mol
Exact Mass336.21
IUPAC NameN-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCNC(=O)COC(C)C
InChIInChI=1S/C15H29FN2O5/c1-4-14(19)18-9-13(16)10-22-8-7-21-6-5-17-15(20)11-23-12(2)3/h12-13H,4-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyMXCFQDSYJBPJNV-UHFFFAOYSA-N
XLogP0.43
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.43
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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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide (CID 142623180) is N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide is CCC(=O)NCC(F)COCCOCCNC(=O)COC(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide?
The InChIKey is MXCFQDSYJBPJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2O5/c1-4-14(19)18-9-13(16)10-22-8-7-21-6-5-17-15(20)11-23-12(2)3/h12-13H,4-11H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide?
N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide has a molecular weight of 336.40 g/mol, XLogP of 0.43, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]propanamide is sourced from PubChem (CID 142623180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).