N-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide

C21H25NO7 — CID 68562240

IUPACN-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
SMILESO=C(NCCc1ccccc1)c1ccc(O[C@H]2OC(CO)C(O)C(O)C2O)cc1
InChIInChI=1S/C21H25NO7/c23-12-16-17(24)18(25)19(26)21(29-16)28-15-8-6-14(7-9-15)20(27)22-11-10-13-4-2-1-3-5-13/h1-9,16-19,21,23-26H,10-12H2,(H,22,27)/t16?,17?,18?,19?,21-/m0/s1
InChIKeyYUYHLARIRHKQTP-HSIWFZMLSA-N
MW403.43 g/mol
LogP-0.16
Rot. Bonds7

About N-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide

N-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide (PubChem CID 68562240) has the molecular formula C21H25NO7 and a molecular weight of 403.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
PubChem CID68562240
Molecular FormulaC21H25NO7
Molecular Weight403.43 g/mol
Exact Mass403.16
IUPAC NameN-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
SMILESO=C(NCCc1ccccc1)c1ccc(O[C@H]2OC(CO)C(O)C(O)C2O)cc1
InChIInChI=1S/C21H25NO7/c23-12-16-17(24)18(25)19(26)21(29-16)28-15-8-6-14(7-9-15)20(27)22-11-10-13-4-2-1-3-5-13/h1-9,16-19,21,23-26H,10-12H2,(H,22,27)/t16?,17?,18?,19?,21-/m0/s1
InChIKeyYUYHLARIRHKQTP-HSIWFZMLSA-N
XLogP-0.16
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 5-0.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide?
The IUPAC name of N-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide (CID 68562240) is N-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide.
What is the SMILES notation for N-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide?
The canonical SMILES for N-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide is O=C(NCCc1ccccc1)c1ccc(O[C@H]2OC(CO)C(O)C(O)C2O)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide?
The InChIKey is YUYHLARIRHKQTP-HSIWFZMLSA-N. The full InChI is InChI=1S/C21H25NO7/c23-12-16-17(24)18(25)19(26)21(29-16)28-15-8-6-14(7-9-15)20(27)22-11-10-13-4-2-1-3-5-13/h1-9,16-19,21,23-26H,10-12H2,(H,22,27)/t16?,17?,18?,19?,21-/m0/s1.
What are the key properties of N-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide?
N-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide has a molecular weight of 403.43 g/mol, XLogP of -0.16, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide is sourced from PubChem (CID 68562240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).