9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate

C24H23NO2 — CID 15737477

IUPAC9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate
SMILESCC(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H23NO2/c1-17(15-18-9-3-2-4-10-18)25-24(26)27-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23H,15-16H2,1H3,(H,25,26)
InChIKeyKZCJSKHUFWWDNK-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.16
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate

9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate (PubChem CID 15737477) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate
PubChem CID15737477
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate
SMILESCC(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H23NO2/c1-17(15-18-9-3-2-4-10-18)25-24(26)27-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23H,15-16H2,1H3,(H,25,26)
InChIKeyKZCJSKHUFWWDNK-UHFFFAOYSA-N
XLogP5.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate (CID 15737477) is 9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate is CC(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate?
The InChIKey is KZCJSKHUFWWDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-17(15-18-9-3-2-4-10-18)25-24(26)27-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23H,15-16H2,1H3,(H,25,26).
What are the key properties of 9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate?
9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate has a molecular weight of 357.45 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(1-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 15737477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).