9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate

C26H28N2O4 — CID 170834231

IUPAC9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate
SMILESNCCc1ccccc1C(O)C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H28N2O4/c27-14-13-17-7-1-2-8-18(17)25(30)24(29)15-28-26(31)32-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-12,23-25,29-30H,13-16,27H2,(H,28,31)
InChIKeyXPMRCSWLKUCHEV-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.12
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate (PubChem CID 170834231) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate
PubChem CID170834231
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate
SMILESNCCc1ccccc1C(O)C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H28N2O4/c27-14-13-17-7-1-2-8-18(17)25(30)24(29)15-28-26(31)32-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-12,23-25,29-30H,13-16,27H2,(H,28,31)
InChIKeyXPMRCSWLKUCHEV-UHFFFAOYSA-N
XLogP3.12
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
9H-fluoren-9-ylmethyl N-(2,3-dihydroxy-3-naphthalen-1-ylpropyl)carbamate
CID 170834360
9H-fluoren-9-ylmethyl N-[3-(2-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833835
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833785
9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833747
9H-fluoren-9-ylmethyl N-[3-(2-chloro-3-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833706
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833767
9H-fluoren-9-ylmethyl N-[3-(2,6-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833738
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833655
9H-fluoren-9-ylmethyl N-[3-(3-tert-butyl-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170835429
9H-fluoren-9-ylmethyl N-[3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833989
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834499

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate (CID 170834231) is 9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate is NCCc1ccccc1C(O)C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate?
The InChIKey is XPMRCSWLKUCHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c27-14-13-17-7-1-2-8-18(17)25(30)24(29)15-28-26(31)32-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-12,23-25,29-30H,13-16,27H2,(H,28,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate has a molecular weight of 432.52 g/mol, XLogP of 3.12, 8 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-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170834231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).