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

C20H22N2O7 — CID 24851684

IUPAC4-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccc(-c2ccccc2)cc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H22N2O7/c23-10-14-15(24)16(25)17(26)19(29-14)22-20(28)21-18(27)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-17,19,23-26H,10H2,(H2,21,22,27,28)/t14-,15-,16+,17-,19-/m1/s1
InChIKeyZINVIKWRSBKXJV-OGJJZOIMSA-N
MW402.40 g/mol
LogP-0.41
Rot. Bonds4

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

4-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide (PubChem CID 24851684) has the molecular formula C20H22N2O7 and a molecular weight of 402.40 g/mol. Its IUPAC name is 4-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide
PubChem CID24851684
Molecular FormulaC20H22N2O7
Molecular Weight402.40 g/mol
Exact Mass402.14
IUPAC Name4-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccc(-c2ccccc2)cc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H22N2O7/c23-10-14-15(24)16(25)17(26)19(29-14)22-20(28)21-18(27)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-17,19,23-26H,10H2,(H2,21,22,27,28)/t14-,15-,16+,17-,19-/m1/s1
InChIKeyZINVIKWRSBKXJV-OGJJZOIMSA-N
XLogP-0.41
TPSA148.35 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.40
LogP ≤ 5-0.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide?
The IUPAC name of 4-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide (CID 24851684) is 4-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide?
The canonical SMILES for 4-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide is O=C(NC(=O)c1ccc(-c2ccccc2)cc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of 4-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide?
The InChIKey is ZINVIKWRSBKXJV-OGJJZOIMSA-N. The full InChI is InChI=1S/C20H22N2O7/c23-10-14-15(24)16(25)17(26)19(29-14)22-20(28)21-18(27)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-17,19,23-26H,10H2,(H2,21,22,27,28)/t14-,15-,16+,17-,19-/m1/s1.
What are the key properties of 4-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide?
4-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide has a molecular weight of 402.40 g/mol, XLogP of -0.41, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide is sourced from PubChem (CID 24851684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).