(2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide

C20H26FNO4 — CID 23818351

IUPAC(2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CCC1)C1=C[C@H](c2ccc(F)cc2)C[C@H](OCCCCO)O1
InChIInChI=1S/C20H26FNO4/c21-16-8-6-14(7-9-16)15-12-18(20(24)22-17-4-3-5-17)26-19(13-15)25-11-2-1-10-23/h6-9,12,15,17,19,23H,1-5,10-11,13H2,(H,22,24)/t15-,19+/m0/s1
InChIKeyBOFMLVOIHQJGSQ-HNAYVOBHSA-N
MW363.43 g/mol
LogP3.00
Rot. Bonds8

About (2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23818351) has the molecular formula C20H26FNO4 and a molecular weight of 363.43 g/mol. Its IUPAC name is (2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23818351
Molecular FormulaC20H26FNO4
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name(2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CCC1)C1=C[C@H](c2ccc(F)cc2)C[C@H](OCCCCO)O1
InChIInChI=1S/C20H26FNO4/c21-16-8-6-14(7-9-16)15-12-18(20(24)22-17-4-3-5-17)26-19(13-15)25-11-2-1-10-23/h6-9,12,15,17,19,23H,1-5,10-11,13H2,(H,22,24)/t15-,19+/m0/s1
InChIKeyBOFMLVOIHQJGSQ-HNAYVOBHSA-N
XLogP3.00
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-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 (2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide (CID 23818351) is (2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NC1CCC1)C1=C[C@H](c2ccc(F)cc2)C[C@H](OCCCCO)O1.
What is the InChIKey of (2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is BOFMLVOIHQJGSQ-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H26FNO4/c21-16-8-6-14(7-9-16)15-12-18(20(24)22-17-4-3-5-17)26-19(13-15)25-11-2-1-10-23/h6-9,12,15,17,19,23H,1-5,10-11,13H2,(H,22,24)/t15-,19+/m0/s1.
What are the key properties of (2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23818351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).