9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate

C23H29NO3 — CID 86066146

IUPAC9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
SMILESO=C(NCCCCCCCCO)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H29NO3/c25-16-10-4-2-1-3-9-15-24-23(26)27-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,22,25H,1-4,9-10,15-17H2,(H,24,26)
InChIKeyDTQWJJURIVGCEE-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.86
Rot. Bonds10

About 9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate

9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate (PubChem CID 86066146) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
PubChem CID86066146
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
SMILESO=C(NCCCCCCCCO)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H29NO3/c25-16-10-4-2-1-3-9-15-24-23(26)27-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,22,25H,1-4,9-10,15-17H2,(H,24,26)
InChIKeyDTQWJJURIVGCEE-UHFFFAOYSA-N
XLogP4.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
9H-fluoren-9-ylmethyl N-[11-[11-(9H-fluoren-9-ylmethoxycarbonylamino)undecyldisulfanyl]undecyl]carbamate
CID 139936018
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 21043295
9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate
CID 22492775
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-[5-[(2-methylpropan-2-yl)oxy]pentyl]carbamate
CID 176788717
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butylamino]acetic acid;hydrochloride
CID 134830437
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
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
CID 142240422

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate (CID 86066146) is 9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate is O=C(NCCCCCCCCO)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate?
The InChIKey is DTQWJJURIVGCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c25-16-10-4-2-1-3-9-15-24-23(26)27-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,22,25H,1-4,9-10,15-17H2,(H,24,26).
What are the key properties of 9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate?
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate has a molecular weight of 367.49 g/mol, XLogP of 4.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate is sourced from PubChem (CID 86066146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).