9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate

C27H26N2O5 — CID 171886870

IUPAC9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate
SMILESO=C(NCCC(O)C(O)c1cccc2c1CNC2=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H26N2O5/c30-24(25(31)20-10-5-11-21-22(20)14-29-26(21)32)12-13-28-27(33)34-15-23-18-8-3-1-6-16(18)17-7-2-4-9-19(17)23/h1-11,23-25,30-31H,12-15H2,(H,28,33)(H,29,32)
InChIKeyWRDLJNGRXMYZGF-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.25
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate

9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate (PubChem CID 171886870) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate
PubChem CID171886870
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate
SMILESO=C(NCCC(O)C(O)c1cccc2c1CNC2=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H26N2O5/c30-24(25(31)20-10-5-11-21-22(20)14-29-26(21)32)12-13-28-27(33)34-15-23-18-8-3-1-6-16(18)17-7-2-4-9-19(17)23/h1-11,23-25,30-31H,12-15H2,(H,28,33)(H,29,32)
InChIKeyWRDLJNGRXMYZGF-UHFFFAOYSA-N
XLogP3.25
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate
CID 170834410
tert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate
CID 171885078
9H-fluoren-9-ylmethyl N-[4-(2-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886050
9H-fluoren-9-ylmethyl N-[4-(2-formylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886250
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate
CID 171887423
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butyl]carbamate
CID 171886502
3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-2-fluorobenzoic acid
CID 171886901
9H-fluoren-9-ylmethyl N-[4-(2-ethoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886565
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2,4,5-trifluorophenyl)butyl]carbamate
CID 171886450
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylthiophen-3-yl)butyl]carbamate
CID 171886024
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]terephthalic acid
CID 171887483
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate
CID 171886797

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate (CID 171886870) is 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate is O=C(NCCC(O)C(O)c1cccc2c1CNC2=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate?
The InChIKey is WRDLJNGRXMYZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c30-24(25(31)20-10-5-11-21-22(20)14-29-26(21)32)12-13-28-27(33)34-15-23-18-8-3-1-6-16(18)17-7-2-4-9-19(17)23/h1-11,23-25,30-31H,12-15H2,(H,28,33)(H,29,32).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate?
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate has a molecular weight of 458.51 g/mol, XLogP of 3.25, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate is sourced from PubChem (CID 171886870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).