3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide

C15H21NO6 — CID 118710033

IUPAC3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
SMILESO=C(CCc1ccccc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H21NO6/c17-8-10-12(19)13(20)14(21)15(22-10)16-11(18)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17,19-21H,6-8H2,(H,16,18)/t10-,12-,13+,14-,15-/m1/s1
InChIKeyATPPZJWZWDXLKS-TVKJYDDYSA-N
MW311.33 g/mol
LogP-1.46
Rot. Bonds5

About 3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide

3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide (PubChem CID 118710033) has the molecular formula C15H21NO6 and a molecular weight of 311.33 g/mol. Its IUPAC name is 3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
PubChem CID118710033
Molecular FormulaC15H21NO6
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
SMILESO=C(CCc1ccccc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H21NO6/c17-8-10-12(19)13(20)14(21)15(22-10)16-11(18)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17,19-21H,6-8H2,(H,16,18)/t10-,12-,13+,14-,15-/m1/s1
InChIKeyATPPZJWZWDXLKS-TVKJYDDYSA-N
XLogP-1.46
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 5-1.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide with MolForge

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Related Compounds

N-Benzoyl-N'-Beta-D-Glucopyranosyl Urea
CID 446600
N-(phenylcarbonyl)-beta-D-glucopyranosylamine
CID 11243053
6-deoxy-N-(2-phenylethyl)hexopyranosylamine
CID 3243430
2-Phenylethylamine glucuronide
CID 191195
N-[4-(5,6,7,8-Tetrahydronaphthalen-2-Yl)butanoyl]-Beta-D-Glucopyranosylamine
CID 76210613
N-[(3r)-3-(4-Ethylphenyl)butanoyl]-Beta-D-Glucopyranosylamine
CID 76210614
N-{(2e)-3-[4-(Propan-2-Yl)phenyl]prop-2-Enoyl}-Beta-D-Glucopyranosylamine
CID 101902451
N-[(2e)-3-(Biphenyl-4-Yl)prop-2-Enoyl]-Beta-D-Glucopyranosylamine
CID 118710051
N-(alpha-L-Fucopyranosyl)benzamide
CID 165416412
5-(dithiolan-3-yl)-N-[[3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enyl]sulfanyloxan-2-yl]methyl]pentanamide
CID 44375340
(E)-3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]prop-2-enamide
CID 168279987
N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168282777

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
The IUPAC name of 3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide (CID 118710033) is 3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide is O=C(CCc1ccccc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of 3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
The InChIKey is ATPPZJWZWDXLKS-TVKJYDDYSA-N. The full InChI is InChI=1S/C15H21NO6/c17-8-10-12(19)13(20)14(21)15(22-10)16-11(18)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17,19-21H,6-8H2,(H,16,18)/t10-,12-,13+,14-,15-/m1/s1.
What are the key properties of 3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide has a molecular weight of 311.33 g/mol, XLogP of -1.46, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide is sourced from PubChem (CID 118710033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).