9H-fluoren-9-yl 3-(diethylamino)propanoate

C20H23NO2 — CID 20476

IUPAC9H-fluoren-9-yl 3-(diethylamino)propanoate
SMILESCCN(CC)CCC(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO2/c1-3-21(4-2)14-13-19(22)23-20-17-11-7-5-9-15(17)16-10-6-8-12-18(16)20/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyKDMXJWAQUFIBIR-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.03
Rot. Bonds6

About 9H-fluoren-9-yl 3-(diethylamino)propanoate

9H-fluoren-9-yl 3-(diethylamino)propanoate (PubChem CID 20476) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 9H-fluoren-9-yl 3-(diethylamino)propanoate.

Molecular Properties

Compound Name9H-fluoren-9-yl 3-(diethylamino)propanoate
PubChem CID20476
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name9H-fluoren-9-yl 3-(diethylamino)propanoate
SMILESCCN(CC)CCC(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO2/c1-3-21(4-2)14-13-19(22)23-20-17-11-7-5-9-15(17)16-10-6-8-12-18(16)20/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyKDMXJWAQUFIBIR-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 3-(diethylamino)propanoate?
The IUPAC name of 9H-fluoren-9-yl 3-(diethylamino)propanoate (CID 20476) is 9H-fluoren-9-yl 3-(diethylamino)propanoate.
What is the SMILES notation for 9H-fluoren-9-yl 3-(diethylamino)propanoate?
The canonical SMILES for 9H-fluoren-9-yl 3-(diethylamino)propanoate is CCN(CC)CCC(=O)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl 3-(diethylamino)propanoate?
The InChIKey is KDMXJWAQUFIBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-21(4-2)14-13-19(22)23-20-17-11-7-5-9-15(17)16-10-6-8-12-18(16)20/h5-12,20H,3-4,13-14H2,1-2H3.
What are the key properties of 9H-fluoren-9-yl 3-(diethylamino)propanoate?
9H-fluoren-9-yl 3-(diethylamino)propanoate has a molecular weight of 309.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 3-(diethylamino)propanoate is sourced from PubChem (CID 20476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).