9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide

C22H27NO2 — CID 22891380

IUPAC9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide
SMILESCCCNC(=O)C1(CCCCCO)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H27NO2/c1-2-15-23-21(25)22(14-8-3-9-16-24)19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h4-7,10-13,24H,2-3,8-9,14-16H2,1H3,(H,23,25)
InChIKeySBLGTNFLXRCBOV-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.03
Rot. Bonds8

About 9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide

9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide (PubChem CID 22891380) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide.

Molecular Properties

Compound Name9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide
PubChem CID22891380
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide
SMILESCCCNC(=O)C1(CCCCCO)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H27NO2/c1-2-15-23-21(25)22(14-8-3-9-16-24)19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h4-7,10-13,24H,2-3,8-9,14-16H2,1H3,(H,23,25)
InChIKeySBLGTNFLXRCBOV-UHFFFAOYSA-N
XLogP4.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide?
The IUPAC name of 9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide (CID 22891380) is 9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide.
What is the SMILES notation for 9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide?
The canonical SMILES for 9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide is CCCNC(=O)C1(CCCCCO)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide?
The InChIKey is SBLGTNFLXRCBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-2-15-23-21(25)22(14-8-3-9-16-24)19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h4-7,10-13,24H,2-3,8-9,14-16H2,1H3,(H,23,25).
What are the key properties of 9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide?
9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide is sourced from PubChem (CID 22891380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).