N-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide

C17H23NO6 — CID 158096818

IUPACN-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide
SMILESCC1=C[C@@H](O)[C@@H](NC(=O)Cc2ccccc2)C([C@H](O)[C@H](O)CO)O1
InChIInChI=1S/C17H23NO6/c1-10-7-12(20)15(17(24-10)16(23)13(21)9-19)18-14(22)8-11-5-3-2-4-6-11/h2-7,12-13,15-17,19-21,23H,8-9H2,1H3,(H,18,22)/t12-,13-,15-,16-,17?/m1/s1
InChIKeyJMVATOAKBXWVFF-VAHZBUILSA-N
MW337.37 g/mol
LogP-0.91
Rot. Bonds6

About N-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide

N-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide (PubChem CID 158096818) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide
PubChem CID158096818
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC NameN-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide
SMILESCC1=C[C@@H](O)[C@@H](NC(=O)Cc2ccccc2)C([C@H](O)[C@H](O)CO)O1
InChIInChI=1S/C17H23NO6/c1-10-7-12(20)15(17(24-10)16(23)13(21)9-19)18-14(22)8-11-5-3-2-4-6-11/h2-7,12-13,15-17,19-21,23H,8-9H2,1H3,(H,18,22)/t12-,13-,15-,16-,17?/m1/s1
InChIKeyJMVATOAKBXWVFF-VAHZBUILSA-N
XLogP-0.91
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 5-0.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide (CID 158096818) is N-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide is CC1=C[C@@H](O)[C@@H](NC(=O)Cc2ccccc2)C([C@H](O)[C@H](O)CO)O1.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide?
The InChIKey is JMVATOAKBXWVFF-VAHZBUILSA-N. The full InChI is InChI=1S/C17H23NO6/c1-10-7-12(20)15(17(24-10)16(23)13(21)9-19)18-14(22)8-11-5-3-2-4-6-11/h2-7,12-13,15-17,19-21,23H,8-9H2,1H3,(H,18,22)/t12-,13-,15-,16-,17?/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide?
N-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide has a molecular weight of 337.37 g/mol, XLogP of -0.91, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-2-phenylacetamide is sourced from PubChem (CID 158096818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).