3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide

C20H22N2O6 — CID 144652691

IUPAC3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide
SMILESO=CNc1ccc(NC(=O)c2cccc([C@H]3OC(CO)CC(O)C3O)c2)cc1
InChIInChI=1S/C20H22N2O6/c23-10-16-9-17(25)18(26)19(28-16)12-2-1-3-13(8-12)20(27)22-15-6-4-14(5-7-15)21-11-24/h1-8,11,16-19,23,25-26H,9-10H2,(H,21,24)(H,22,27)/t16?,17?,18?,19-/m1/s1
InChIKeyVKCDMKYGGQNILK-GLCUGAKSSA-N
MW386.40 g/mol
LogP1.05
Rot. Bonds6

About 3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide

3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide (PubChem CID 144652691) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide.

Molecular Properties

Compound Name3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide
PubChem CID144652691
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide
SMILESO=CNc1ccc(NC(=O)c2cccc([C@H]3OC(CO)CC(O)C3O)c2)cc1
InChIInChI=1S/C20H22N2O6/c23-10-16-9-17(25)18(26)19(28-16)12-2-1-3-13(8-12)20(27)22-15-6-4-14(5-7-15)21-11-24/h1-8,11,16-19,23,25-26H,9-10H2,(H,21,24)(H,22,27)/t16?,17?,18?,19-/m1/s1
InChIKeyVKCDMKYGGQNILK-GLCUGAKSSA-N
XLogP1.05
TPSA128.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-formamidophenyl)-3-methylbenzamide
CID 168653169
N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 78162415
(2R,3S,4R,5S,6R)-2-[3-[4-[3-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90251075
2-[3-[2-(3,5-dichlorophenyl)ethynyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol
CID 123721732
3-formamido-N-pyridin-3-ylbenzamide
CID 168654563
trans-(1R,2R)-2-[4-[[3-(dimethylcarbamoyl)benzoyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 136584750
N-(4-fluorophenyl)-4-formamidobenzamide
CID 168651892
2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol
CID 123614765
6-(hydroxymethyl)-2-[3-[3-hydroxy-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]oxane-3,4-diol
CID 137037442
N-[4-(2-formylhydrazinyl)phenyl]-3-methylbenzamide
CID 20661930
N-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide
CID 144641341
3-formamido-N-(2-methylphenyl)benzamide
CID 168653763

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide?
The IUPAC name of 3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide (CID 144652691) is 3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide.
What is the SMILES notation for 3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide?
The canonical SMILES for 3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide is O=CNc1ccc(NC(=O)c2cccc([C@H]3OC(CO)CC(O)C3O)c2)cc1.
What is the InChIKey of 3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide?
The InChIKey is VKCDMKYGGQNILK-GLCUGAKSSA-N. The full InChI is InChI=1S/C20H22N2O6/c23-10-16-9-17(25)18(26)19(28-16)12-2-1-3-13(8-12)20(27)22-15-6-4-14(5-7-15)21-11-24/h1-8,11,16-19,23,25-26H,9-10H2,(H,21,24)(H,22,27)/t16?,17?,18?,19-/m1/s1.
What are the key properties of 3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide?
3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide has a molecular weight of 386.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide is sourced from PubChem (CID 144652691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).