N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide

C18H35FN2O5 — CID 155459731

IUPACN-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide
SMILESCC(C)OCC(=O)NCCCOCCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C18H35FN2O5/c1-14(2)18(23)21-11-16(19)12-25-10-6-9-24-8-5-7-20-17(22)13-26-15(3)4/h14-16H,5-13H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyXDHINZPVCAWLLY-UHFFFAOYSA-N
MW378.49 g/mol
LogP1.45
Rot. Bonds16

About N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide

N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide (PubChem CID 155459731) has the molecular formula C18H35FN2O5 and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide
PubChem CID155459731
Molecular FormulaC18H35FN2O5
Molecular Weight378.49 g/mol
Exact Mass378.25
IUPAC NameN-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide
SMILESCC(C)OCC(=O)NCCCOCCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C18H35FN2O5/c1-14(2)18(23)21-11-16(19)12-25-10-6-9-24-8-5-7-20-17(22)13-26-15(3)4/h14-16H,5-13H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyXDHINZPVCAWLLY-UHFFFAOYSA-N
XLogP1.45
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 157048797
N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
CID 170442191
N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane
CID 157048796
N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide
CID 170007577
N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium
CID 155739438
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
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-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 147243604
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
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide (CID 155459731) is N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide is CC(C)OCC(=O)NCCCOCCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide?
The InChIKey is XDHINZPVCAWLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN2O5/c1-14(2)18(23)21-11-16(19)12-25-10-6-9-24-8-5-7-20-17(22)13-26-15(3)4/h14-16H,5-13H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide has a molecular weight of 378.49 g/mol, XLogP of 1.45, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 155459731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).