N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide

C15H31FN2O4 — CID 171647211

IUPACN-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide
SMILESCCCC(=O)NCC(F)COCCOCCOCCNCC
InChIInChI=1S/C15H31FN2O4/c1-3-5-15(19)18-12-14(16)13-22-11-10-21-9-8-20-7-6-17-4-2/h14,17H,3-13H2,1-2H3,(H,18,19)
InChIKeyVXLFZRSMXOTQPD-UHFFFAOYSA-N
MW322.42 g/mol
LogP0.90
Rot. Bonds16

About N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide

N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide (PubChem CID 171647211) has the molecular formula C15H31FN2O4 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide.

Molecular Properties

Compound NameN-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide
PubChem CID171647211
Molecular FormulaC15H31FN2O4
Molecular Weight322.42 g/mol
Exact Mass322.23
IUPAC NameN-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide
SMILESCCCC(=O)NCC(F)COCCOCCOCCNCC
InChIInChI=1S/C15H31FN2O4/c1-3-5-15(19)18-12-14(16)13-22-11-10-21-9-8-20-7-6-17-4-2/h14,17H,3-13H2,1-2H3,(H,18,19)
InChIKeyVXLFZRSMXOTQPD-UHFFFAOYSA-N
XLogP0.90
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 50.90
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-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide?
The IUPAC name of N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide (CID 171647211) is N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide.
What is the SMILES notation for N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide?
The canonical SMILES for N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide is CCCC(=O)NCC(F)COCCOCCOCCNCC.
What is the InChIKey of N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide?
The InChIKey is VXLFZRSMXOTQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FN2O4/c1-3-5-15(19)18-12-14(16)13-22-11-10-21-9-8-20-7-6-17-4-2/h14,17H,3-13H2,1-2H3,(H,18,19).
What are the key properties of N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide?
N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide has a molecular weight of 322.42 g/mol, XLogP of 0.90, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]butanamide is sourced from PubChem (CID 171647211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).