[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate

C23H21N3O5 — CID 90731632

IUPAC[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1c2ccccc2-c2ccc(NC(=O)CCN3C(=O)C=CC3=O)cc21
InChIInChI=1S/C23H21N3O5/c1-24-23(30)31-13-19-16-5-3-2-4-15(16)17-7-6-14(12-18(17)19)25-20(27)10-11-26-21(28)8-9-22(26)29/h2-9,12,19H,10-11,13H2,1H3,(H,24,30)(H,25,27)
InChIKeyPAOUFKGIIQKCME-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.41
Rot. Bonds6

About [2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate

[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate (PubChem CID 90731632) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is [2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate
PubChem CID90731632
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1c2ccccc2-c2ccc(NC(=O)CCN3C(=O)C=CC3=O)cc21
InChIInChI=1S/C23H21N3O5/c1-24-23(30)31-13-19-16-5-3-2-4-15(16)17-7-6-14(12-18(17)19)25-20(27)10-11-26-21(28)8-9-22(26)29/h2-9,12,19H,10-11,13H2,1H3,(H,24,30)(H,25,27)
InChIKeyPAOUFKGIIQKCME-UHFFFAOYSA-N
XLogP2.41
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate
CID 91265178
9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
CID 10904539
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
CID 175158189
[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl formate
CID 159938128
[2-[3-(2,5-dihydroxy-3-propan-2-ylsulfanylpyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbamate
CID 90743793
[2-[3-(2,5-dioxocyclopent-3-en-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 118632709
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
(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
11-[10-[1-[3-[[9-(acetyloxymethyl)-9H-fluoren-2-yl]amino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyldecyldisulfanyl]undecanoic acid;sulfur trioxide
CID 160610245
4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
CID 175360768
[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-[6-(ethylamino)-9-hydroxy-7-oxononyl]carbamate
CID 118375032
(2-amino-9H-fluoren-9-yl)methanol;9-[[tert-butyl(dimethyl)silyl]oxymethyl]-9H-fluoren-2-amine;N-[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-9H-fluoren-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;tert-butyl N-(9H-fluoren-2-yl)carbamate;tert-butyl N-[9-(hydroxymethyl)-9H-fluoren-2-yl]carbamate;deuterio(fluoro)methane;ethoxyethane;9H-fluoren-2-amine;methanol;trifluoroborane
CID 160889872

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate?
The IUPAC name of [2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate (CID 90731632) is [2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate.
What is the SMILES notation for [2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate?
The canonical SMILES for [2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate is CNC(=O)OCC1c2ccccc2-c2ccc(NC(=O)CCN3C(=O)C=CC3=O)cc21.
What is the InChIKey of [2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate?
The InChIKey is PAOUFKGIIQKCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-24-23(30)31-13-19-16-5-3-2-4-15(16)17-7-6-14(12-18(17)19)25-20(27)10-11-26-21(28)8-9-22(26)29/h2-9,12,19H,10-11,13H2,1H3,(H,24,30)(H,25,27).
What are the key properties of [2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate?
[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate has a molecular weight of 419.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate is sourced from PubChem (CID 90731632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).