N-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C15H31FN2O3 — CID 167237696

IUPACN-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)NCCCOCC(F)CNC(=O)COC(C)(C)C
InChIInChI=1S/C15H31FN2O3/c1-12(2)17-7-6-8-20-10-13(16)9-18-14(19)11-21-15(3,4)5/h12-13,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyNXHYHYQZJQYQDI-UHFFFAOYSA-N
MW306.42 g/mol
LogP1.66
Rot. Bonds11

About N-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 167237696) has the molecular formula C15H31FN2O3 and a molecular weight of 306.42 g/mol. Its IUPAC name is N-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID167237696
Molecular FormulaC15H31FN2O3
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC NameN-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)NCCCOCC(F)CNC(=O)COC(C)(C)C
InChIInChI=1S/C15H31FN2O3/c1-12(2)17-7-6-8-20-10-13(16)9-18-14(19)11-21-15(3,4)5/h12-13,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyNXHYHYQZJQYQDI-UHFFFAOYSA-N
XLogP1.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 167237696) is N-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)NCCCOCC(F)CNC(=O)COC(C)(C)C.
What is the InChIKey of N-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is NXHYHYQZJQYQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FN2O3/c1-12(2)17-7-6-8-20-10-13(16)9-18-14(19)11-21-15(3,4)5/h12-13,17H,6-11H2,1-5H3,(H,18,19).
What are the key properties of N-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 306.42 g/mol, XLogP of 1.66, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[3-(propan-2-ylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 167237696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).