3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide

C20H23NO7 — CID 123278448

IUPAC3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide
SMILESCc1cc(-c2cccc(C(=O)NC3C(O)C(O)OC(CO)C3O)c2)ccc1O
InChIInChI=1S/C20H23NO7/c1-10-7-12(5-6-14(10)23)11-3-2-4-13(8-11)19(26)21-16-17(24)15(9-22)28-20(27)18(16)25/h2-8,15-18,20,22-25,27H,9H2,1H3,(H,21,26)
InChIKeyHUFHADPOWKMLCJ-UHFFFAOYSA-N
MW389.40 g/mol
LogP-0.10
Rot. Bonds4

About 3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide

3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide (PubChem CID 123278448) has the molecular formula C20H23NO7 and a molecular weight of 389.40 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide
PubChem CID123278448
Molecular FormulaC20H23NO7
Molecular Weight389.40 g/mol
Exact Mass389.15
IUPAC Name3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide
SMILESCc1cc(-c2cccc(C(=O)NC3C(O)C(O)OC(CO)C3O)c2)ccc1O
InChIInChI=1S/C20H23NO7/c1-10-7-12(5-6-14(10)23)11-3-2-4-13(8-11)19(26)21-16-17(24)15(9-22)28-20(27)18(16)25/h2-8,15-18,20,22-25,27H,9H2,1H3,(H,21,26)
InChIKeyHUFHADPOWKMLCJ-UHFFFAOYSA-N
XLogP-0.10
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
CID 162533973
3-bromo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
CID 162533961
3-[4-[(S)-hydroxy-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-3-methylphenyl]-N-methylbenzamide
CID 121355428
N-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-4-benzamido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide
CID 11592187
4-iodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide;4-methyl-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
CID 161428676
N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide
CID 54063653
N-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 70004972
N-[(3R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methylsulfanyloxan-4-yl]naphthalene-2-carboxamide
CID 71171534
methyl 3-[3-methyl-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyphenyl]benzoate
CID 85471159
N-[(2S,3S,4R,5R,6R)-2,5-dihydroxy-6-[[(4-methylbenzoyl)amino]methyl]-4-prop-1-enoxyoxan-3-yl]-3-phenylbenzamide
CID 67974050
3-[3-chloro-4-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-N-methylbenzamide
CID 71074061
3-[3-ethyl-4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-N-methylbenzamide
CID 134423115

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide?
The IUPAC name of 3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide (CID 123278448) is 3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide.
What is the SMILES notation for 3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide?
The canonical SMILES for 3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide is Cc1cc(-c2cccc(C(=O)NC3C(O)C(O)OC(CO)C3O)c2)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide?
The InChIKey is HUFHADPOWKMLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO7/c1-10-7-12(5-6-14(10)23)11-3-2-4-13(8-11)19(26)21-16-17(24)15(9-22)28-20(27)18(16)25/h2-8,15-18,20,22-25,27H,9H2,1H3,(H,21,26).
What are the key properties of 3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide?
3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide has a molecular weight of 389.40 g/mol, XLogP of -0.10, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methylphenyl)-N-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]benzamide is sourced from PubChem (CID 123278448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).