9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate

C23H28N2O6 — CID 178159554

IUPAC9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate
SMILESCNC(=O)OCCN(CCOCCO)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H28N2O6/c1-24-22(27)30-14-11-25(10-13-29-15-12-26)23(28)31-16-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,21,26H,10-16H2,1H3,(H,24,27)
InChIKeyJGAZVLDKCQOXHO-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.60
Rot. Bonds10

About 9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate (PubChem CID 178159554) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate
PubChem CID178159554
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate
SMILESCNC(=O)OCCN(CCOCCO)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H28N2O6/c1-24-22(27)30-14-11-25(10-13-29-15-12-26)23(28)31-16-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,21,26H,10-16H2,1H3,(H,24,27)
InChIKeyJGAZVLDKCQOXHO-UHFFFAOYSA-N
XLogP2.60
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 178135145
2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-(methylamino)ethoxy]ethyl]amino]acetic acid
CID 156691934
9H-fluoren-9-ylmethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid
CID 118902712
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 134528524
9H-fluoren-9-ylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
CID 17039577
2-[9H-fluoren-9-ylmethoxycarbonyl(2-phenylmethoxyethyl)amino]acetic acid
CID 101481949
9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate
CID 176817151
2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid
CID 152751889
9H-fluoren-9-ylmethyl N-(3-aminopropyl)-N-[4-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]butyl]carbamate;dihydrochloride
CID 121233598
prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate
CID 70041299
9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
CID 107483352
9H-fluoren-9-ylmethyl 2-hydroxyethyl carbonate
CID 174872937

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate (CID 178159554) is 9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate is CNC(=O)OCCN(CCOCCO)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate?
The InChIKey is JGAZVLDKCQOXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-24-22(27)30-14-11-25(10-13-29-15-12-26)23(28)31-16-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,21,26H,10-16H2,1H3,(H,24,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate has a molecular weight of 428.49 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate is sourced from PubChem (CID 178159554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).