2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one

C23H30N2O3 — CID 71698867

IUPAC2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one
SMILESCC(C)NCCOc1ccc2c(c1)C(=O)c1cc(OCCNC(C)C)ccc1-2
InChIInChI=1S/C23H30N2O3/c1-15(2)24-9-11-27-17-5-7-19-20-8-6-18(28-12-10-25-16(3)4)14-22(20)23(26)21(19)13-17/h5-8,13-16,24-25H,9-12H2,1-4H3
InChIKeyHBZFUBZNVHAFGV-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.65
Rot. Bonds10

About 2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one

2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one (PubChem CID 71698867) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one
PubChem CID71698867
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one
SMILESCC(C)NCCOc1ccc2c(c1)C(=O)c1cc(OCCNC(C)C)ccc1-2
InChIInChI=1S/C23H30N2O3/c1-15(2)24-9-11-27-17-5-7-19-20-8-6-18(28-12-10-25-16(3)4)14-22(20)23(26)21(19)13-17/h5-8,13-16,24-25H,9-12H2,1-4H3
InChIKeyHBZFUBZNVHAFGV-UHFFFAOYSA-N
XLogP3.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.65
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 2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one?
The IUPAC name of 2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one (CID 71698867) is 2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one.
What is the SMILES notation for 2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one?
The canonical SMILES for 2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one is CC(C)NCCOc1ccc2c(c1)C(=O)c1cc(OCCNC(C)C)ccc1-2.
What is the InChIKey of 2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one?
The InChIKey is HBZFUBZNVHAFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-15(2)24-9-11-27-17-5-7-19-20-8-6-18(28-12-10-25-16(3)4)14-22(20)23(26)21(19)13-17/h5-8,13-16,24-25H,9-12H2,1-4H3.
What are the key properties of 2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one?
2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one has a molecular weight of 382.50 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one is sourced from PubChem (CID 71698867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).