N-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide

C18H35FN2O5 — CID 138727031

IUPACN-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCC(C)OCC(=O)NCCOCCOC(C)(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C18H35FN2O5/c1-13(2)17(23)21-11-15(19)18(5,6)26-10-9-24-8-7-20-16(22)12-25-14(3)4/h13-15H,7-12H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyJNBJKFATWNXNHH-UHFFFAOYSA-N
MW378.49 g/mol
LogP1.45
Rot. Bonds14

About N-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide

N-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide (PubChem CID 138727031) has the molecular formula C18H35FN2O5 and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide
PubChem CID138727031
Molecular FormulaC18H35FN2O5
Molecular Weight378.49 g/mol
Exact Mass378.25
IUPAC NameN-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCC(C)OCC(=O)NCCOCCOC(C)(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C18H35FN2O5/c1-13(2)17(23)21-11-15(19)18(5,6)26-10-9-24-8-7-20-16(22)12-25-14(3)4/h13-15H,7-12H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyJNBJKFATWNXNHH-UHFFFAOYSA-N
XLogP1.45
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide (CID 138727031) is N-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide is CC(C)OCC(=O)NCCOCCOC(C)(C)C(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The InChIKey is JNBJKFATWNXNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN2O5/c1-13(2)17(23)21-11-15(19)18(5,6)26-10-9-24-8-7-20-16(22)12-25-14(3)4/h13-15H,7-12H2,1-6H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide?
N-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide has a molecular weight of 378.49 g/mol, XLogP of 1.45, 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-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide is sourced from PubChem (CID 138727031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).