N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide

C20H22N2O5 — CID 118652138

IUPACN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C20H22N2O5/c23-17-16(11-21-18(24)14-7-3-1-4-8-14)27-13-20(17,26)12-22-19(25)15-9-5-2-6-10-15/h1-10,16-17,23,26H,11-13H2,(H,21,24)(H,22,25)/t16-,17-,20+/m1/s1
InChIKeyPJWVRKFXHQXQAC-HLIPFELVSA-N
MW370.40 g/mol
LogP0.34
Rot. Bonds6

About N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide

N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide (PubChem CID 118652138) has the molecular formula C20H22N2O5 and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
PubChem CID118652138
Molecular FormulaC20H22N2O5
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC NameN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C20H22N2O5/c23-17-16(11-21-18(24)14-7-3-1-4-8-14)27-13-20(17,26)12-22-19(25)15-9-5-2-6-10-15/h1-10,16-17,23,26H,11-13H2,(H,21,24)(H,22,25)/t16-,17-,20+/m1/s1
InChIKeyPJWVRKFXHQXQAC-HLIPFELVSA-N
XLogP0.34
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide with MolForge

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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
N,N'-Bis-(tetrahydro-furan-2-ylmethyl)-terephthalamide
CID 551361
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chlorobenzamide
CID 118652045
N-(2-(2-(2-(Benzoylamino)ethoxy)ethoxy)ethyl)benzamide
CID 3369375
N-(alpha-L-Fucopyranosyl)benzamide
CID 165416412
N-((Z)-2-phenyl-1-{[(tetrahydrofuran-2-ylmethyl)amino]carbonyl}vinyl)benzamide
CID 6916239
4-(3-oxo-1,2-benzoselenazol-2-yl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide
CID 57327913
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-(trifluoromethyl)-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168297118

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide (CID 118652138) is N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O)c1ccccc1.
What is the InChIKey of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
The InChIKey is PJWVRKFXHQXQAC-HLIPFELVSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-17-16(11-21-18(24)14-7-3-1-4-8-14)27-13-20(17,26)12-22-19(25)15-9-5-2-6-10-15/h1-10,16-17,23,26H,11-13H2,(H,21,24)(H,22,25)/t16-,17-,20+/m1/s1.
What are the key properties of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide has a molecular weight of 370.40 g/mol, XLogP of 0.34, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 118652138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).