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

C15H21NO7 — CID 134130073

IUPAC2-(4-methoxyphenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)cc1
InChIInChI=1S/C15H21NO7/c1-22-9-4-2-8(3-5-9)6-11(18)16-12-14(20)13(19)10(7-17)23-15(12)21/h2-5,10,12-15,17,19-21H,6-7H2,1H3,(H,16,18)/t10-,12-,13-,14-,15-/m1/s1
InChIKeyMTZWQORKEMEPGO-DIAXPKBXSA-N
MW327.33 g/mol
LogP-1.85
Rot. Bonds5

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

2-(4-methoxyphenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 134130073) has the molecular formula C15H21NO7 and a molecular weight of 327.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID134130073
Molecular FormulaC15H21NO7
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Name2-(4-methoxyphenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)cc1
InChIInChI=1S/C15H21NO7/c1-22-9-4-2-8(3-5-9)6-11(18)16-12-14(20)13(19)10(7-17)23-15(12)21/h2-5,10,12-15,17,19-21H,6-7H2,1H3,(H,16,18)/t10-,12-,13-,14-,15-/m1/s1
InChIKeyMTZWQORKEMEPGO-DIAXPKBXSA-N
XLogP-1.85
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 5-1.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 134130073) is 2-(4-methoxyphenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is COc1ccc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is MTZWQORKEMEPGO-DIAXPKBXSA-N. The full InChI is InChI=1S/C15H21NO7/c1-22-9-4-2-8(3-5-9)6-11(18)16-12-14(20)13(19)10(7-17)23-15(12)21/h2-5,10,12-15,17,19-21H,6-7H2,1H3,(H,16,18)/t10-,12-,13-,14-,15-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 327.33 g/mol, XLogP of -1.85, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 134130073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).