N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide

C16H33FN2O3 — CID 142616512

IUPACN-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide
SMILESCC(=O)NCC(F)C(C)(C)OCCCOCCCNC(C)C
InChIInChI=1S/C16H33FN2O3/c1-13(2)18-8-6-9-21-10-7-11-22-16(4,5)15(17)12-19-14(3)20/h13,15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyOMEXTFOQIQADKE-UHFFFAOYSA-N
MW320.45 g/mol
LogP2.05
Rot. Bonds13

About N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide

N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide (PubChem CID 142616512) has the molecular formula C16H33FN2O3 and a molecular weight of 320.45 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide
PubChem CID142616512
Molecular FormulaC16H33FN2O3
Molecular Weight320.45 g/mol
Exact Mass320.25
IUPAC NameN-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide
SMILESCC(=O)NCC(F)C(C)(C)OCCCOCCCNC(C)C
InChIInChI=1S/C16H33FN2O3/c1-13(2)18-8-6-9-21-10-7-11-22-16(4,5)15(17)12-19-14(3)20/h13,15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyOMEXTFOQIQADKE-UHFFFAOYSA-N
XLogP2.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide?
The IUPAC name of N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide (CID 142616512) is N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide is CC(=O)NCC(F)C(C)(C)OCCCOCCCNC(C)C.
What is the InChIKey of N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide?
The InChIKey is OMEXTFOQIQADKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FN2O3/c1-13(2)18-8-6-9-21-10-7-11-22-16(4,5)15(17)12-19-14(3)20/h13,15,18H,6-12H2,1-5H3,(H,19,20).
What are the key properties of N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide?
N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide has a molecular weight of 320.45 g/mol, XLogP of 2.05, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide is sourced from PubChem (CID 142616512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).