(2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide

C23H30F3NO4 — CID 23902716

IUPAC(2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CCCCC1)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1
InChIInChI=1S/C23H30F3NO4/c24-23(25,26)18-10-8-16(9-11-18)17-14-20(22(29)27-19-6-2-1-3-7-19)31-21(15-17)30-13-5-4-12-28/h8-11,14,17,19,21,28H,1-7,12-13,15H2,(H,27,29)/t17-,21+/m0/s1
InChIKeyLKULCDUCRQMODE-LAUBAEHRSA-N
MW441.49 g/mol
LogP4.66
Rot. Bonds8

About (2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23902716) has the molecular formula C23H30F3NO4 and a molecular weight of 441.49 g/mol. Its IUPAC name is (2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23902716
Molecular FormulaC23H30F3NO4
Molecular Weight441.49 g/mol
Exact Mass441.21
IUPAC Name(2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CCCCC1)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1
InChIInChI=1S/C23H30F3NO4/c24-23(25,26)18-10-8-16(9-11-18)17-14-20(22(29)27-19-6-2-1-3-7-19)31-21(15-17)30-13-5-4-12-28/h8-11,14,17,19,21,28H,1-7,12-13,15H2,(H,27,29)/t17-,21+/m0/s1
InChIKeyLKULCDUCRQMODE-LAUBAEHRSA-N
XLogP4.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.66
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-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-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

Related Compounds

(2S,4S)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 24746705
(2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23818351
(2S,4S)-2-(4-hydroxybutoxy)-N-phenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 24746718
methyl 4-[(2S,4S)-6-(cyclopentylcarbamoyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-4-yl]benzoate
CID 23818434
(2R,4R)-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 24746680
(2S,4S)-2-(4-hydroxybutoxy)-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 23818436
(2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902717
(2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23986452
(2R,4R)-4-(4-ethynylphenyl)-2-(4-hydroxybutoxy)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23818349
(2S,4S)-4-(4-ethynylphenyl)-2-(4-hydroxybutoxy)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902818
(2R,4R)-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23930764
(2S,4S)-2-(4-hydroxybutoxy)-4-(4-iodophenyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902826

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 23902716) is (2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NC1CCCCC1)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1.
What is the InChIKey of (2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is LKULCDUCRQMODE-LAUBAEHRSA-N. The full InChI is InChI=1S/C23H30F3NO4/c24-23(25,26)18-10-8-16(9-11-18)17-14-20(22(29)27-19-6-2-1-3-7-19)31-21(15-17)30-13-5-4-12-28/h8-11,14,17,19,21,28H,1-7,12-13,15H2,(H,27,29)/t17-,21+/m0/s1.
What are the key properties of (2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23902716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).