N-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide

C14H28FN3O4 — CID 129308456

IUPACN-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCN(F)CCNC(=O)COC(C)C
InChIInChI=1S/C14H28FN3O4/c1-11(2)21-9-13(19)16-5-7-18(15)8-6-17-14(20)10-22-12(3)4/h11-12H,5-10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyYZZOZQNEULEILU-UHFFFAOYSA-N
MW321.39 g/mol
LogP0.26
Rot. Bonds12

About N-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide

N-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide (PubChem CID 129308456) has the molecular formula C14H28FN3O4 and a molecular weight of 321.39 g/mol. Its IUPAC name is N-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide
PubChem CID129308456
Molecular FormulaC14H28FN3O4
Molecular Weight321.39 g/mol
Exact Mass321.21
IUPAC NameN-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCN(F)CCNC(=O)COC(C)C
InChIInChI=1S/C14H28FN3O4/c1-11(2)21-9-13(19)16-5-7-18(15)8-6-17-14(20)10-22-12(3)4/h11-12H,5-10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyYZZOZQNEULEILU-UHFFFAOYSA-N
XLogP0.26
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide (CID 129308456) is N-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCCN(F)CCNC(=O)COC(C)C.
What is the InChIKey of N-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide?
The InChIKey is YZZOZQNEULEILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FN3O4/c1-11(2)21-9-13(19)16-5-7-18(15)8-6-17-14(20)10-22-12(3)4/h11-12H,5-10H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide?
N-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide has a molecular weight of 321.39 g/mol, XLogP of 0.26, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[fluoro-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 129308456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).