4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one

C31H46N2O4 — CID 19594888

IUPAC4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one
SMILESCCCCOc1cc(OCCCN(CC)CC)cc2c1-c1c(OCCCN(CC)CC)cccc1C2=O
InChIInChI=1S/C31H46N2O4/c1-6-11-19-37-28-23-24(35-20-13-17-32(7-2)8-3)22-26-30(28)29-25(31(26)34)15-12-16-27(29)36-21-14-18-33(9-4)10-5/h12,15-16,22-23H,6-11,13-14,17-21H2,1-5H3
InChIKeyNNAZKGDMZJCDHC-UHFFFAOYSA-N
MW510.72 g/mol
LogP6.30
Rot. Bonds18

About 4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one

4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one (PubChem CID 19594888) has the molecular formula C31H46N2O4 and a molecular weight of 510.72 g/mol. Its IUPAC name is 4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one.

Molecular Properties

Compound Name4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one
PubChem CID19594888
Molecular FormulaC31H46N2O4
Molecular Weight510.72 g/mol
Exact Mass510.35
IUPAC Name4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one
SMILESCCCCOc1cc(OCCCN(CC)CC)cc2c1-c1c(OCCCN(CC)CC)cccc1C2=O
InChIInChI=1S/C31H46N2O4/c1-6-11-19-37-28-23-24(35-20-13-17-32(7-2)8-3)22-26-30(28)29-25(31(26)34)15-12-16-27(29)36-21-14-18-33(9-4)10-5/h12,15-16,22-23H,6-11,13-14,17-21H2,1-5H3
InChIKeyNNAZKGDMZJCDHC-UHFFFAOYSA-N
XLogP6.30
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.72
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one
CID 19594662
3,5-bis[4-(diethylamino)butoxy]fluoren-9-one
CID 19594755
2-butoxy-5-[3-(diethylamino)propoxy]fluoren-9-one;2-butoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 174391219
3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one
CID 19594761
1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one
CID 19594830
4-butoxy-2,5-bis(2-pyrrolidin-2-ylethoxy)fluoren-9-one
CID 19594842
1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
CID 19594796
1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
CID 19594651
4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189465
2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 162165445
2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 70191517
3-butoxy-8-hydroxy-1-methylanthracene-9,10-dione
CID 167231252

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one?
The IUPAC name of 4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one (CID 19594888) is 4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one.
What is the SMILES notation for 4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one?
The canonical SMILES for 4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one is CCCCOc1cc(OCCCN(CC)CC)cc2c1-c1c(OCCCN(CC)CC)cccc1C2=O.
What is the InChIKey of 4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one?
The InChIKey is NNAZKGDMZJCDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N2O4/c1-6-11-19-37-28-23-24(35-20-13-17-32(7-2)8-3)22-26-30(28)29-25(31(26)34)15-12-16-27(29)36-21-14-18-33(9-4)10-5/h12,15-16,22-23H,6-11,13-14,17-21H2,1-5H3.
What are the key properties of 4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one?
4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one has a molecular weight of 510.72 g/mol, XLogP of 6.30, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one is sourced from PubChem (CID 19594888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).