(2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

C23H26FNO4 — CID 23902930

IUPAC(2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2ccc(F)cc2)[C@@H]1CCCO
InChIInChI=1S/C23H26FNO4/c1-2-28-23-19(9-6-14-26)20(16-10-12-17(24)13-11-16)15-21(29-23)22(27)25-18-7-4-3-5-8-18/h3-5,7-8,10-13,15,19-20,23,26H,2,6,9,14H2,1H3,(H,25,27)/t19-,20-,23-/m0/s1
InChIKeyGZZPPFQWYHPHTB-JTAQYXEDSA-N
MW399.46 g/mol
LogP4.21
Rot. Bonds8

About (2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

(2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23902930) has the molecular formula C23H26FNO4 and a molecular weight of 399.46 g/mol. Its IUPAC name is (2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23902930
Molecular FormulaC23H26FNO4
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name(2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2ccc(F)cc2)[C@@H]1CCCO
InChIInChI=1S/C23H26FNO4/c1-2-28-23-19(9-6-14-26)20(16-10-12-17(24)13-11-16)15-21(29-23)22(27)25-18-7-4-3-5-8-18/h3-5,7-8,10-13,15,19-20,23,26H,2,6,9,14H2,1H3,(H,25,27)/t19-,20-,23-/m0/s1
InChIKeyGZZPPFQWYHPHTB-JTAQYXEDSA-N
XLogP4.21
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23902930) is (2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2ccc(F)cc2)[C@@H]1CCCO.
What is the InChIKey of (2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is GZZPPFQWYHPHTB-JTAQYXEDSA-N. The full InChI is InChI=1S/C23H26FNO4/c1-2-28-23-19(9-6-14-26)20(16-10-12-17(24)13-11-16)15-21(29-23)22(27)25-18-7-4-3-5-8-18/h3-5,7-8,10-13,15,19-20,23,26H,2,6,9,14H2,1H3,(H,25,27)/t19-,20-,23-/m0/s1.
What are the key properties of (2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23902930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).