9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate

C24H27NO3 — CID 171951144

IUPAC9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
SMILESO=C(NCCC1CC2CCC(C1)O2)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27NO3/c26-24(25-12-11-16-13-17-9-10-18(14-16)28-17)27-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,16-18,23H,9-15H2,(H,25,26)
InChIKeyVKKUKNLXNFCICN-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.87
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate (PubChem CID 171951144) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
PubChem CID171951144
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
SMILESO=C(NCCC1CC2CCC(C1)O2)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27NO3/c26-24(25-12-11-16-13-17-9-10-18(14-16)28-17)27-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,16-18,23H,9-15H2,(H,25,26)
InChIKeyVKKUKNLXNFCICN-UHFFFAOYSA-N
XLogP4.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171951138
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate
CID 171951149
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride
CID 18356260
3-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxabicyclo[3.2.1]octane-3-carboxylic acid
CID 167718744
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane
CID 143718788
3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7005107
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate
CID 70700200
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154803547

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate (CID 171951144) is 9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate is O=C(NCCC1CC2CCC(C1)O2)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate?
The InChIKey is VKKUKNLXNFCICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c26-24(25-12-11-16-13-17-9-10-18(14-16)28-17)27-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,16-18,23H,9-15H2,(H,25,26).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate has a molecular weight of 377.48 g/mol, XLogP of 4.87, 5 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-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate is sourced from PubChem (CID 171951144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).