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

C27H27NO4 — CID 6669375

IUPAC(2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCc1ccccc1)C1=C[C@@H](c2ccccc2)C[C@@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C27H27NO4/c29-18-21-11-13-22(14-12-21)19-31-26-16-24(23-9-5-2-6-10-23)15-25(32-26)27(30)28-17-20-7-3-1-4-8-20/h1-15,24,26,29H,16-19H2,(H,28,30)/t24-,26+/m1/s1
InChIKeyUANLHJUTEFBHSS-RSXGOPAZSA-N
MW429.52 g/mol
LogP4.43
Rot. Bonds8

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

(2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6669375) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is (2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID6669375
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Name(2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCc1ccccc1)C1=C[C@@H](c2ccccc2)C[C@@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C27H27NO4/c29-18-21-11-13-22(14-12-21)19-31-26-16-24(23-9-5-2-6-10-23)15-25(32-26)27(30)28-17-20-7-3-1-4-8-20/h1-15,24,26,29H,16-19H2,(H,28,30)/t24-,26+/m1/s1
InChIKeyUANLHJUTEFBHSS-RSXGOPAZSA-N
XLogP4.43
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl((2S,4S)-2-(4-(hydroxymethyl)benzyloxy)-4-phenyl-3,4-dihydro-2H-pyran-6-yl)methanone
CID 6667281
((2R,4R)-2-(4-(hydroxymethyl)benzyloxy)-4-phenyl-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 6669834
((2S,4S)-2-(4-(hydroxymethyl)benzyloxy)-4-phenyl-3,4-dihydro-2H-pyran-6-yl)(4-methylpiperazin-1-yl)methanone
CID 16187128
((2R,4S)-4-cyclohexyl-2-(4-(hydroxymethyl)benzyloxy)-3,4-dihydro-2H-pyran-6-yl)(4-methylpiperazin-1-yl)methanone
CID 16187153
(4-benzylpiperazin-1-yl)((2R,4R)-2-(4-(hydroxymethyl)benzyloxy)-4-phenyl-3,4-dihydro-2H-pyran-6-yl)methanone
CID 16195729
[(2S,4S)-4-(4-bromophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
CID 16195740
((2S,4R)-4-cyclohexyl-2-(4-(hydroxymethyl)benzyloxy)-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 16195746
azocan-1-yl((2R,4R)-2-(4-(hydroxymethyl)benzyloxy)-4-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-pyran-6-yl)methanone
CID 16195787
(4-benzylpiperazin-1-yl)((2R,4R)-4-tert-butyl-2-(4-(hydroxymethyl)benzyloxy)-3,4-dihydro-2H-pyran-6-yl)methanone
CID 16195811
(4-benzylpiperazin-1-yl)((2R,4S)-4-cyclopropyl-2-(4-(hydroxymethyl)benzyloxy)-3,4-dihydro-2H-pyran-6-yl)methanone
CID 16195849
(4-benzylpiperazin-1-yl)((2S,4R)-4-cyclohexyl-2-(4-(hydroxymethyl)benzyloxy)-3,4-dihydro-2H-pyran-6-yl)methanone
CID 16195877
(2R,4R)-N-cyclopropyl-2-(4-(hydroxymethyl)benzyloxy)-4-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 16195880

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 6669375) is (2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NCc1ccccc1)C1=C[C@@H](c2ccccc2)C[C@@H](OCc2ccc(CO)cc2)O1.
What is the InChIKey of (2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is UANLHJUTEFBHSS-RSXGOPAZSA-N. The full InChI is InChI=1S/C27H27NO4/c29-18-21-11-13-22(14-12-21)19-31-26-16-24(23-9-5-2-6-10-23)15-25(32-26)27(30)28-17-20-7-3-1-4-8-20/h1-15,24,26,29H,16-19H2,(H,28,30)/t24-,26+/m1/s1.
What are the key properties of (2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6669375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).