1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione

C23H34FN3O4 — CID 134553917

IUPAC1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione
SMILESCC(C)(O)COc1cc(C2(NCCCCCCCN3CC(=O)NC3=O)CC2)ccc1F
InChIInChI=1S/C23H34FN3O4/c1-22(2,30)16-31-19-14-17(8-9-18(19)24)23(10-11-23)25-12-6-4-3-5-7-13-27-15-20(28)26-21(27)29/h8-9,14,25,30H,3-7,10-13,15-16H2,1-2H3,(H,26,28,29)
InChIKeyXRHYHGFBLIIGMI-UHFFFAOYSA-N
MW435.54 g/mol
LogP3.06
Rot. Bonds13

About 1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione

1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione (PubChem CID 134553917) has the molecular formula C23H34FN3O4 and a molecular weight of 435.54 g/mol. Its IUPAC name is 1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione
PubChem CID134553917
Molecular FormulaC23H34FN3O4
Molecular Weight435.54 g/mol
Exact Mass435.25
IUPAC Name1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione
SMILESCC(C)(O)COc1cc(C2(NCCCCCCCN3CC(=O)NC3=O)CC2)ccc1F
InChIInChI=1S/C23H34FN3O4/c1-22(2,30)16-31-19-14-17(8-9-18(19)24)23(10-11-23)25-12-6-4-3-5-7-13-27-15-20(28)26-21(27)29/h8-9,14,25,30H,3-7,10-13,15-16H2,1-2H3,(H,26,28,29)
InChIKeyXRHYHGFBLIIGMI-UHFFFAOYSA-N
XLogP3.06
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione (CID 134553917) is 1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione is CC(C)(O)COc1cc(C2(NCCCCCCCN3CC(=O)NC3=O)CC2)ccc1F.
What is the InChIKey of 1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione?
The InChIKey is XRHYHGFBLIIGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O4/c1-22(2,30)16-31-19-14-17(8-9-18(19)24)23(10-11-23)25-12-6-4-3-5-7-13-27-15-20(28)26-21(27)29/h8-9,14,25,30H,3-7,10-13,15-16H2,1-2H3,(H,26,28,29).
What are the key properties of 1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione?
1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione has a molecular weight of 435.54 g/mol, XLogP of 3.06, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione is sourced from PubChem (CID 134553917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).