N-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide

C30H44NO4P — CID 22891585

IUPACN-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide
SMILESCCCCNC(=O)C1(CCCCP(=O)(OCCCC)OCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C30H44NO4P/c1-4-7-21-31-29(32)30(27-18-12-10-16-25(27)26-17-11-13-19-28(26)30)20-14-15-24-36(33,34-22-8-5-2)35-23-9-6-3/h10-13,16-19H,4-9,14-15,20-24H2,1-3H3,(H,31,32)
InChIKeyRAQGRBXRTNZWQU-UHFFFAOYSA-N
MW513.66 g/mol
LogP7.87
Rot. Bonds17

About N-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide

N-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide (PubChem CID 22891585) has the molecular formula C30H44NO4P and a molecular weight of 513.66 g/mol. Its IUPAC name is N-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide.

Molecular Properties

Compound NameN-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide
PubChem CID22891585
Molecular FormulaC30H44NO4P
Molecular Weight513.66 g/mol
Exact Mass513.30
IUPAC NameN-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide
SMILESCCCCNC(=O)C1(CCCCP(=O)(OCCCC)OCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C30H44NO4P/c1-4-7-21-31-29(32)30(27-18-12-10-16-25(27)26-17-11-13-19-28(26)30)20-14-15-24-36(33,34-22-8-5-2)35-23-9-6-3/h10-13,16-19H,4-9,14-15,20-24H2,1-3H3,(H,31,32)
InChIKeyRAQGRBXRTNZWQU-UHFFFAOYSA-N
XLogP7.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.66
LogP ≤ 57.87
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'}

Analyze N-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide?
The IUPAC name of N-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide (CID 22891585) is N-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide.
What is the SMILES notation for N-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide?
The canonical SMILES for N-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide is CCCCNC(=O)C1(CCCCP(=O)(OCCCC)OCCCC)c2ccccc2-c2ccccc21.
What is the InChIKey of N-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide?
The InChIKey is RAQGRBXRTNZWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44NO4P/c1-4-7-21-31-29(32)30(27-18-12-10-16-25(27)26-17-11-13-19-28(26)30)20-14-15-24-36(33,34-22-8-5-2)35-23-9-6-3/h10-13,16-19H,4-9,14-15,20-24H2,1-3H3,(H,31,32).
What are the key properties of N-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide?
N-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide has a molecular weight of 513.66 g/mol, XLogP of 7.87, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-9-(4-dibutoxyphosphorylbutyl)fluorene-9-carboxamide is sourced from PubChem (CID 22891585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).