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

C23H28N4O3 — CID 10835296

IUPAC3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide
SMILESCN(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN(C)C)ccc1-2
InChIInChI=1S/C23H28N4O3/c1-26(2)11-9-21(28)24-15-5-7-17-18-8-6-16(25-22(29)10-12-27(3)4)14-20(18)23(30)19(17)13-15/h5-8,13-14H,9-12H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyXYGVVZGRORVSNV-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.68
Rot. Bonds8

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

3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide (PubChem CID 10835296) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide
PubChem CID10835296
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide
SMILESCN(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN(C)C)ccc1-2
InChIInChI=1S/C23H28N4O3/c1-26(2)11-9-21(28)24-15-5-7-17-18-8-6-16(25-22(29)10-12-27(3)4)14-20(18)23(30)19(17)13-15/h5-8,13-14H,9-12H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyXYGVVZGRORVSNV-UHFFFAOYSA-N
XLogP2.68
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide (CID 10835296) is 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide is CN(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN(C)C)ccc1-2.
What is the InChIKey of 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide?
The InChIKey is XYGVVZGRORVSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-26(2)11-9-21(28)24-15-5-7-17-18-8-6-16(25-22(29)10-12-27(3)4)14-20(18)23(30)19(17)13-15/h5-8,13-14H,9-12H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide?
3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide has a molecular weight of 408.50 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9-oxofluoren-2-yl]propanamide is sourced from PubChem (CID 10835296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).