(2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide

C24H26FNO4 — CID 23760560

IUPAC(2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CCC1)C1=C[C@@H](c2ccc(F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C24H26FNO4/c25-20-10-8-18(9-11-20)19-12-22(24(28)26-21-2-1-3-21)30-23(13-19)29-15-17-6-4-16(14-27)5-7-17/h4-12,19,21,23,27H,1-3,13-15H2,(H,26,28)/t19-,23+/m1/s1
InChIKeyHGRCRXRJBMTOGU-XXBNENTESA-N
MW411.47 g/mol
LogP3.92
Rot. Bonds7

About (2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide

(2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23760560) has the molecular formula C24H26FNO4 and a molecular weight of 411.47 g/mol. Its IUPAC name is (2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23760560
Molecular FormulaC24H26FNO4
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name(2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CCC1)C1=C[C@@H](c2ccc(F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C24H26FNO4/c25-20-10-8-18(9-11-20)19-12-22(24(28)26-21-2-1-3-21)30-23(13-19)29-15-17-6-4-16(14-27)5-7-17/h4-12,19,21,23,27H,1-3,13-15H2,(H,26,28)/t19-,23+/m1/s1
InChIKeyHGRCRXRJBMTOGU-XXBNENTESA-N
XLogP3.92
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide (CID 23760560) is (2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NC1CCC1)C1=C[C@@H](c2ccc(F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1.
What is the InChIKey of (2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is HGRCRXRJBMTOGU-XXBNENTESA-N. The full InChI is InChI=1S/C24H26FNO4/c25-20-10-8-18(9-11-20)19-12-22(24(28)26-21-2-1-3-21)30-23(13-19)29-15-17-6-4-16(14-27)5-7-17/h4-12,19,21,23,27H,1-3,13-15H2,(H,26,28)/t19-,23+/m1/s1.
What are the key properties of (2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23760560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).