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

C20H25NO4 — CID 16745429

IUPAC(2S,4R)-N,4-dicyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CC1)C1=C[C@@H](C2CC2)C[C@@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C20H25NO4/c22-11-13-1-3-14(4-2-13)12-24-19-10-16(15-5-6-15)9-18(25-19)20(23)21-17-7-8-17/h1-4,9,15-17,19,22H,5-8,10-12H2,(H,21,23)/t16-,19+/m1/s1
InChIKeyXEKKPGAUPXPXSM-APWZRJJASA-N
MW343.42 g/mol
LogP2.63
Rot. Bonds7

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

(2S,4R)-N,4-dicyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 16745429) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (2S,4R)-N,4-dicyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N,4-dicyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID16745429
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(2S,4R)-N,4-dicyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CC1)C1=C[C@@H](C2CC2)C[C@@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C20H25NO4/c22-11-13-1-3-14(4-2-13)12-24-19-10-16(15-5-6-15)9-18(25-19)20(23)21-17-7-8-17/h1-4,9,15-17,19,22H,5-8,10-12H2,(H,21,23)/t16-,19+/m1/s1
InChIKeyXEKKPGAUPXPXSM-APWZRJJASA-N
XLogP2.63
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6669375
((2R,4R)-2-(4-(hydroxymethyl)benzyloxy)-4-phenyl-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 6669834
((2S,4R)-4-cyclohexyl-2-(4-(hydroxymethyl)benzyloxy)-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 16195746
((2S,4R)-4-cyclopropyl-2-(4-(hydroxymethyl)benzyloxy)-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 16195818
((2R,4R)-4-tert-butyl-2-(4-(hydroxymethyl)benzyloxy)-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 16195864
(2R,4R)-N-cyclopropyl-2-(4-(hydroxymethyl)benzyloxy)-4-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 16195880
(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197000
(2R,4S)-4-cyclohexyl-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197003
(2R,3R,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197028
(2S,4R)-N-benzyl-4-cyclohexyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197050
(2R,4S)-4-cyclohexyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197057
(2S,4S)-N-benzyl-4-tert-butyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197084

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N,4-dicyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,4R)-N,4-dicyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide (CID 16745429) is (2S,4R)-N,4-dicyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,4R)-N,4-dicyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,4R)-N,4-dicyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NC1CC1)C1=C[C@@H](C2CC2)C[C@@H](OCc2ccc(CO)cc2)O1.
What is the InChIKey of (2S,4R)-N,4-dicyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is XEKKPGAUPXPXSM-APWZRJJASA-N. The full InChI is InChI=1S/C20H25NO4/c22-11-13-1-3-14(4-2-13)12-24-19-10-16(15-5-6-15)9-18(25-19)20(23)21-17-7-8-17/h1-4,9,15-17,19,22H,5-8,10-12H2,(H,21,23)/t16-,19+/m1/s1.
What are the key properties of (2S,4R)-N,4-dicyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,4R)-N,4-dicyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N,4-dicyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 16745429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).