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

C21H25NO7 — CID 10993127

IUPACN-[(4-methoxyphenyl)methyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
SMILESCOc1ccc(CN(C(=O)c2ccccc2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C21H25NO7/c1-28-15-9-7-13(8-10-15)11-22(20(27)14-5-3-2-4-6-14)21-19(26)18(25)17(24)16(12-23)29-21/h2-10,16-19,21,23-26H,11-12H2,1H3/t16-,17+,18+,19-,21-/m1/s1
InChIKeyZRAIUVPZRMTJRO-WVXKDWSHSA-N
MW403.43 g/mol
LogP0.14
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide (PubChem CID 10993127) has the molecular formula C21H25NO7 and a molecular weight of 403.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
PubChem CID10993127
Molecular FormulaC21H25NO7
Molecular Weight403.43 g/mol
Exact Mass403.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
SMILESCOc1ccc(CN(C(=O)c2ccccc2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C21H25NO7/c1-28-15-9-7-13(8-10-15)11-22(20(27)14-5-3-2-4-6-14)21-19(26)18(25)17(24)16(12-23)29-21/h2-10,16-19,21,23-26H,11-12H2,1H3/t16-,17+,18+,19-,21-/m1/s1
InChIKeyZRAIUVPZRMTJRO-WVXKDWSHSA-N
XLogP0.14
TPSA119.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 10903008
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;1-methoxy-4-[3-[3-(4-methoxyphenyl)propoxy]propyl]benzene
CID 69135577
(2R,4S,5S)-2-[ethoxy(naphthalen-2-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89348938
[(2R,3S,4R,5R,6R)-4-benzoyloxy-5-hydroxy-2-(hydroxymethyl)-6-[(4-methoxyphenyl)methoxy]oxan-3-yl] benzoate
CID 102573418
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515
N-[4-(4-methoxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-thiazol-2-ylidene]benzamide
CID 45257672
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 23916463
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
phenyl-[4-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methanone
CID 102410375
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide (CID 10993127) is N-[(4-methoxyphenyl)methyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide is COc1ccc(CN(C(=O)c2ccccc2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
The InChIKey is ZRAIUVPZRMTJRO-WVXKDWSHSA-N. The full InChI is InChI=1S/C21H25NO7/c1-28-15-9-7-13(8-10-15)11-22(20(27)14-5-3-2-4-6-14)21-19(26)18(25)17(24)16(12-23)29-21/h2-10,16-19,21,23-26H,11-12H2,1H3/t16-,17+,18+,19-,21-/m1/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
N-[(4-methoxyphenyl)methyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide has a molecular weight of 403.43 g/mol, XLogP of 0.14, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide is sourced from PubChem (CID 10993127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).