9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide

C25H34NO4P — CID 18409286

IUPAC9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide
SMILESCCCNC(=O)C1(CCCCP(=O)(OCC)OCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H34NO4P/c1-4-18-26-24(27)25(17-11-12-19-31(28,29-5-2)30-6-3)22-15-9-7-13-20(22)21-14-8-10-16-23(21)25/h7-10,13-16H,4-6,11-12,17-19H2,1-3H3,(H,26,27)
InChIKeyUTHONZKRSSGOIT-UHFFFAOYSA-N
MW443.52 g/mol
LogP5.92
Rot. Bonds12

About 9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide

9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide (PubChem CID 18409286) has the molecular formula C25H34NO4P and a molecular weight of 443.52 g/mol. Its IUPAC name is 9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide.

Molecular Properties

Compound Name9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide
PubChem CID18409286
Molecular FormulaC25H34NO4P
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC Name9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide
SMILESCCCNC(=O)C1(CCCCP(=O)(OCC)OCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H34NO4P/c1-4-18-26-24(27)25(17-11-12-19-31(28,29-5-2)30-6-3)22-15-9-7-13-20(22)21-14-8-10-16-23(21)25/h7-10,13-16H,4-6,11-12,17-19H2,1-3H3,(H,26,27)
InChIKeyUTHONZKRSSGOIT-UHFFFAOYSA-N
XLogP5.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide?
The IUPAC name of 9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide (CID 18409286) is 9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide.
What is the SMILES notation for 9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide?
The canonical SMILES for 9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide is CCCNC(=O)C1(CCCCP(=O)(OCC)OCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide?
The InChIKey is UTHONZKRSSGOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34NO4P/c1-4-18-26-24(27)25(17-11-12-19-31(28,29-5-2)30-6-3)22-15-9-7-13-20(22)21-14-8-10-16-23(21)25/h7-10,13-16H,4-6,11-12,17-19H2,1-3H3,(H,26,27).
What are the key properties of 9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide?
9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide has a molecular weight of 443.52 g/mol, XLogP of 5.92, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-diethoxyphosphorylbutyl)-N-propylfluorene-9-carboxamide is sourced from PubChem (CID 18409286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).