[2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate

C24H23N3O7 — CID 118088024

IUPAC[2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESCCC(=O)Nc1ccc2c(c1)C(OC(=O)ON1C(=O)CCC1=O)c1cc(NC(=O)CC)ccc1-2
InChIInChI=1S/C24H23N3O7/c1-3-19(28)25-13-5-7-15-16-8-6-14(26-20(29)4-2)12-18(16)23(17(15)11-13)33-24(32)34-27-21(30)9-10-22(27)31/h5-8,11-12,23H,3-4,9-10H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyVUOUZRLGCGDBIO-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.67
Rot. Bonds6

About [2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate

[2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate (PubChem CID 118088024) has the molecular formula C24H23N3O7 and a molecular weight of 465.46 g/mol. Its IUPAC name is [2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate.

Molecular Properties

Compound Name[2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
PubChem CID118088024
Molecular FormulaC24H23N3O7
Molecular Weight465.46 g/mol
Exact Mass465.15
IUPAC Name[2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESCCC(=O)Nc1ccc2c(c1)C(OC(=O)ON1C(=O)CCC1=O)c1cc(NC(=O)CC)ccc1-2
InChIInChI=1S/C24H23N3O7/c1-3-19(28)25-13-5-7-15-16-8-6-14(26-20(29)4-2)12-18(16)23(17(15)11-13)33-24(32)34-27-21(30)9-10-22(27)31/h5-8,11-12,23H,3-4,9-10H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyVUOUZRLGCGDBIO-UHFFFAOYSA-N
XLogP3.67
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis((2,5-dioxopyrrolidin-1-yl) [2-[2-(methylamino)-2-oxoethyl]-7-(propanoylamino)-9H-fluoren-9-yl]methyl carbonate);methanesulfonic acid;sulfurochloridic acid
CID 160648119
[2-[3-(2,5-dioxocyclopent-3-en-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 118632709
9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-7-(ethylamino)-9H-fluorene-2-sulfonic acid
CID 58372655
N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide
CID 4316551
(2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate
CID 154982114
N-(9-formyl-9H-fluoren-2-yl)propanamide
CID 89102901
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272
N-(4-bromo-3-cyclopropylphenyl)propanamide
CID 68922613
(2,5-dioxopyrrolidin-1-yl) [2-[3-[3-[4-[1-[3-[[9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-9H-fluoren-2-yl]amino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1,2,3,4-tetrahydroxybutyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]-9H-fluoren-9-yl]methyl carbonate
CID 50898555
[2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine
CID 161186199
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074

Frequently Asked Questions

What is the IUPAC name of [2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate?
The IUPAC name of [2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate (CID 118088024) is [2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate.
What is the SMILES notation for [2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate?
The canonical SMILES for [2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate is CCC(=O)Nc1ccc2c(c1)C(OC(=O)ON1C(=O)CCC1=O)c1cc(NC(=O)CC)ccc1-2.
What is the InChIKey of [2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate?
The InChIKey is VUOUZRLGCGDBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O7/c1-3-19(28)25-13-5-7-15-16-8-6-14(26-20(29)4-2)12-18(16)23(17(15)11-13)33-24(32)34-27-21(30)9-10-22(27)31/h5-8,11-12,23H,3-4,9-10H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of [2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate?
[2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate has a molecular weight of 465.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate is sourced from PubChem (CID 118088024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).