9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate

C23H29NO3 — CID 163664263

IUPAC9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate
SMILESCCCCOC(C)(C)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H29NO3/c1-4-5-14-27-23(2,3)16-24-22(25)26-15-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h6-13,21H,4-5,14-16H2,1-3H3,(H,24,25)
InChIKeyIXAMCRRZAOSIIX-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.12
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate

9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate (PubChem CID 163664263) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate
PubChem CID163664263
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate
SMILESCCCCOC(C)(C)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H29NO3/c1-4-5-14-27-23(2,3)16-24-22(25)26-15-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h6-13,21H,4-5,14-16H2,1-3H3,(H,24,25)
InChIKeyIXAMCRRZAOSIIX-UHFFFAOYSA-N
XLogP5.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate (CID 163664263) is 9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate is CCCCOC(C)(C)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate?
The InChIKey is IXAMCRRZAOSIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-4-5-14-27-23(2,3)16-24-22(25)26-15-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h6-13,21H,4-5,14-16H2,1-3H3,(H,24,25).
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate?
9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate has a molecular weight of 367.49 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate is sourced from PubChem (CID 163664263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).