9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate

C21H25NO5 — CID 58969842

IUPAC9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate
SMILESO=C(NCCCOCC(O)CO)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO5/c23-12-15(24)13-26-11-5-10-22-21(25)27-14-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-4,6-9,15,20,23-24H,5,10-14H2,(H,22,25)
InChIKeyFUIAOWXKQFZZDT-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.29
Rot. Bonds9

About 9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate (PubChem CID 58969842) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate
PubChem CID58969842
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate
SMILESO=C(NCCCOCC(O)CO)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO5/c23-12-15(24)13-26-11-5-10-22-21(25)27-14-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-4,6-9,15,20,23-24H,5,10-14H2,(H,22,25)
InChIKeyFUIAOWXKQFZZDT-UHFFFAOYSA-N
XLogP2.29
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate
CID 22492775
9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
CID 142240422
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]butoxy]propylazanium chloride
CID 146015289
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-(2-propoxyethyl)carbamate
CID 23569178
2-[2-[3-[2-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetate
CID 159342393
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate
CID 145385577
5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]pentanoic acid
CID 156889446

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate (CID 58969842) is 9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate is O=C(NCCCOCC(O)CO)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate?
The InChIKey is FUIAOWXKQFZZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c23-12-15(24)13-26-11-5-10-22-21(25)27-14-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-4,6-9,15,20,23-24H,5,10-14H2,(H,22,25).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate has a molecular weight of 371.43 g/mol, XLogP of 2.29, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate is sourced from PubChem (CID 58969842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).