9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide

C32H47N2O5P — CID 10231635

IUPAC9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide
SMILESCCCCOP(=O)(CCCCC1(C(=O)NCCN2CCOCC2)c2ccccc2-c2ccccc21)OCCCC
InChIInChI=1S/C32H47N2O5P/c1-3-5-22-38-40(36,39-23-6-4-2)26-12-11-17-32(31(35)33-18-19-34-20-24-37-25-21-34)29-15-9-7-13-27(29)28-14-8-10-16-30(28)32/h7-10,13-16H,3-6,11-12,17-26H2,1-2H3,(H,33,35)
InChIKeyYTYFLZZSJZICPU-UHFFFAOYSA-N
MW570.71 g/mol
LogP6.40
Rot. Bonds17

About 9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide

9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide (PubChem CID 10231635) has the molecular formula C32H47N2O5P and a molecular weight of 570.71 g/mol. Its IUPAC name is 9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide.

Molecular Properties

Compound Name9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide
PubChem CID10231635
Molecular FormulaC32H47N2O5P
Molecular Weight570.71 g/mol
Exact Mass570.32
IUPAC Name9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide
SMILESCCCCOP(=O)(CCCCC1(C(=O)NCCN2CCOCC2)c2ccccc2-c2ccccc21)OCCCC
InChIInChI=1S/C32H47N2O5P/c1-3-5-22-38-40(36,39-23-6-4-2)26-12-11-17-32(31(35)33-18-19-34-20-24-37-25-21-34)29-15-9-7-13-27(29)28-14-8-10-16-30(28)32/h7-10,13-16H,3-6,11-12,17-26H2,1-2H3,(H,33,35)
InChIKeyYTYFLZZSJZICPU-UHFFFAOYSA-N
XLogP6.40
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.71
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide?
The IUPAC name of 9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide (CID 10231635) is 9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide.
What is the SMILES notation for 9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide?
The canonical SMILES for 9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide is CCCCOP(=O)(CCCCC1(C(=O)NCCN2CCOCC2)c2ccccc2-c2ccccc21)OCCCC.
What is the InChIKey of 9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide?
The InChIKey is YTYFLZZSJZICPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N2O5P/c1-3-5-22-38-40(36,39-23-6-4-2)26-12-11-17-32(31(35)33-18-19-34-20-24-37-25-21-34)29-15-9-7-13-27(29)28-14-8-10-16-30(28)32/h7-10,13-16H,3-6,11-12,17-26H2,1-2H3,(H,33,35).
What are the key properties of 9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide?
9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide has a molecular weight of 570.71 g/mol, XLogP of 6.40, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibutoxyphosphorylbutyl)-N-(2-morpholin-4-ylethyl)fluorene-9-carboxamide is sourced from PubChem (CID 10231635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).