[2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane

C26H31FN2O6 — CID 142088513

IUPAC[2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane
SMILESCCC.CCCOC(=O)CC(NC(=O)COC(=O)n1c2ccccc2c2ccccc21)C(=O)CF
InChIInChI=1S/C23H23FN2O6.C3H8/c1-2-11-31-22(29)12-17(20(27)13-24)25-21(28)14-32-23(30)26-18-9-5-3-7-15(18)16-8-4-6-10-19(16)26;1-3-2/h3-10,17H,2,11-14H2,1H3,(H,25,28);3H2,1-2H3
InChIKeyFDSNRVQJNDURCR-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.56
Rot. Bonds9

About [2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane

[2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane (PubChem CID 142088513) has the molecular formula C26H31FN2O6 and a molecular weight of 486.54 g/mol. Its IUPAC name is [2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane.

Molecular Properties

Compound Name[2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane
PubChem CID142088513
Molecular FormulaC26H31FN2O6
Molecular Weight486.54 g/mol
Exact Mass486.22
IUPAC Name[2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane
SMILESCCC.CCCOC(=O)CC(NC(=O)COC(=O)n1c2ccccc2c2ccccc21)C(=O)CF
InChIInChI=1S/C23H23FN2O6.C3H8/c1-2-11-31-22(29)12-17(20(27)13-24)25-21(28)14-32-23(30)26-18-9-5-3-7-15(18)16-8-4-6-10-19(16)26;1-3-2/h3-10,17H,2,11-14H2,1H3,(H,25,28);3H2,1-2H3
InChIKeyFDSNRVQJNDURCR-UHFFFAOYSA-N
XLogP4.56
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane?
The IUPAC name of [2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane (CID 142088513) is [2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane.
What is the SMILES notation for [2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane?
The canonical SMILES for [2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane is CCC.CCCOC(=O)CC(NC(=O)COC(=O)n1c2ccccc2c2ccccc21)C(=O)CF.
What is the InChIKey of [2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane?
The InChIKey is FDSNRVQJNDURCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O6.C3H8/c1-2-11-31-22(29)12-17(20(27)13-24)25-21(28)14-32-23(30)26-18-9-5-3-7-15(18)16-8-4-6-10-19(16)26;1-3-2/h3-10,17H,2,11-14H2,1H3,(H,25,28);3H2,1-2H3.
What are the key properties of [2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane?
[2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane has a molecular weight of 486.54 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane is sourced from PubChem (CID 142088513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).