3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide

C27H36N4O3 — CID 10695455

IUPAC3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide
SMILESCCN(CC)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN(CC)CC)ccc1-2
InChIInChI=1S/C27H36N4O3/c1-5-30(6-2)15-13-25(32)28-19-9-11-21-22-12-10-20(18-24(22)27(34)23(21)17-19)29-26(33)14-16-31(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyLXKAADAEWLMNAU-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.24
Rot. Bonds12

About 3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide

3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide (PubChem CID 10695455) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is 3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide.

Molecular Properties

Compound Name3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide
PubChem CID10695455
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC Name3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide
SMILESCCN(CC)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN(CC)CC)ccc1-2
InChIInChI=1S/C27H36N4O3/c1-5-30(6-2)15-13-25(32)28-19-9-11-21-22-12-10-20(18-24(22)27(34)23(21)17-19)29-26(33)14-16-31(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyLXKAADAEWLMNAU-UHFFFAOYSA-N
XLogP4.24
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide?
The IUPAC name of 3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide (CID 10695455) is 3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide.
What is the SMILES notation for 3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide?
The canonical SMILES for 3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide is CCN(CC)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN(CC)CC)ccc1-2.
What is the InChIKey of 3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide?
The InChIKey is LXKAADAEWLMNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-5-30(6-2)15-13-25(32)28-19-9-11-21-22-12-10-20(18-24(22)27(34)23(21)17-19)29-26(33)14-16-31(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3,(H,28,32)(H,29,33).
What are the key properties of 3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide?
3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide has a molecular weight of 464.61 g/mol, XLogP of 4.24, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-[7-[3-(diethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide is sourced from PubChem (CID 10695455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).