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

C23H28N2O7 — CID 70689006

IUPACN-[3-benzamido-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]benzamide
SMILESO=C(NCC(CNC(=O)c1ccccc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C23H28N2O7/c26-13-17-18(27)19(28)20(29)21(32-17)16(11-24-22(30)14-7-3-1-4-8-14)12-25-23(31)15-9-5-2-6-10-15/h1-10,16-21,26-29H,11-13H2,(H,24,30)(H,25,31)/t17-,18-,19+,20-,21+/m1/s1
InChIKeyFXESUHSTGRVYFZ-ADAARDCZSA-N
MW444.48 g/mol
LogP-0.69
Rot. Bonds8

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

N-[3-benzamido-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]benzamide (PubChem CID 70689006) has the molecular formula C23H28N2O7 and a molecular weight of 444.48 g/mol. Its IUPAC name is N-[3-benzamido-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]benzamide.

Molecular Properties

Compound NameN-[3-benzamido-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]benzamide
PubChem CID70689006
Molecular FormulaC23H28N2O7
Molecular Weight444.48 g/mol
Exact Mass444.19
IUPAC NameN-[3-benzamido-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]benzamide
SMILESO=C(NCC(CNC(=O)c1ccccc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C23H28N2O7/c26-13-17-18(27)19(28)20(29)21(32-17)16(11-24-22(30)14-7-3-1-4-8-14)12-25-23(31)15-9-5-2-6-10-15/h1-10,16-21,26-29H,11-13H2,(H,24,30)(H,25,31)/t17-,18-,19+,20-,21+/m1/s1
InChIKeyFXESUHSTGRVYFZ-ADAARDCZSA-N
XLogP-0.69
TPSA148.35 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.48
LogP ≤ 5-0.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

N-Benzoyl-N'-Beta-D-Glucopyranosyl Urea
CID 446600
N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide
CID 165416413
N-(phenylcarbonyl)-beta-D-glucopyranosylamine
CID 11243053
3-phenyl-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
CID 127048545
N-methyl-3-[4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]benzamide
CID 130409100
N-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
CID 24851684
N-(alpha-L-Fucopyranosyl)benzamide
CID 165416412
N-[3-benzamido-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propyl]benzamide
CID 76318036
N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168282777
3-methyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168289478
4-methyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168297565
N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)-2-naphthamide
CID 44579270

Frequently Asked Questions

What is the IUPAC name of N-[3-benzamido-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]benzamide?
The IUPAC name of N-[3-benzamido-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]benzamide (CID 70689006) is N-[3-benzamido-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]benzamide.
What is the SMILES notation for N-[3-benzamido-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]benzamide?
The canonical SMILES for N-[3-benzamido-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]benzamide is O=C(NCC(CNC(=O)c1ccccc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1.
What is the InChIKey of N-[3-benzamido-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]benzamide?
The InChIKey is FXESUHSTGRVYFZ-ADAARDCZSA-N. The full InChI is InChI=1S/C23H28N2O7/c26-13-17-18(27)19(28)20(29)21(32-17)16(11-24-22(30)14-7-3-1-4-8-14)12-25-23(31)15-9-5-2-6-10-15/h1-10,16-21,26-29H,11-13H2,(H,24,30)(H,25,31)/t17-,18-,19+,20-,21+/m1/s1.
What are the key properties of N-[3-benzamido-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]benzamide?
N-[3-benzamido-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]benzamide has a molecular weight of 444.48 g/mol, XLogP of -0.69, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzamido-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]benzamide is sourced from PubChem (CID 70689006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).