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

C23H23NO6 — CID 78162415

IUPACN-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cccc(C2OC(CO)C(O)C(O)C2O)c1
InChIInChI=1S/C23H23NO6/c25-12-18-19(26)20(27)21(28)22(30-18)15-6-3-7-16(10-15)23(29)24-17-9-8-13-4-1-2-5-14(13)11-17/h1-11,18-22,25-28H,12H2,(H,24,29)
InChIKeyIPXWOORCZDHBCF-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.61
Rot. Bonds4

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

N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide (PubChem CID 78162415) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
PubChem CID78162415
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC NameN-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cccc(C2OC(CO)C(O)C(O)C2O)c1
InChIInChI=1S/C23H23NO6/c25-12-18-19(26)20(27)21(28)22(30-18)15-6-3-7-16(10-15)23(29)24-17-9-8-13-4-1-2-5-14(13)11-17/h1-11,18-22,25-28H,12H2,(H,24,29)
InChIKeyIPXWOORCZDHBCF-UHFFFAOYSA-N
XLogP1.61
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
The IUPAC name of N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide (CID 78162415) is N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide.
What is the SMILES notation for N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
The canonical SMILES for N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide is O=C(Nc1ccc2ccccc2c1)c1cccc(C2OC(CO)C(O)C(O)C2O)c1.
What is the InChIKey of N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
The InChIKey is IPXWOORCZDHBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c25-12-18-19(26)20(27)21(28)22(30-18)15-6-3-7-16(10-15)23(29)24-17-9-8-13-4-1-2-5-14(13)11-17/h1-11,18-22,25-28H,12H2,(H,24,29).
What are the key properties of N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide has a molecular weight of 409.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide is sourced from PubChem (CID 78162415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).