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

C21H24N2O5 — CID 129185581

IUPACN-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
SMILESCN(C[C@]1(O)CO[C@H](CNC(=O)c2ccccc2)[C@H]1O)C(=O)c1ccccc1
InChIInChI=1S/C21H24N2O5/c1-23(20(26)16-10-6-3-7-11-16)13-21(27)14-28-17(18(21)24)12-22-19(25)15-8-4-2-5-9-15/h2-11,17-18,24,27H,12-14H2,1H3,(H,22,25)/t17-,18-,21+/m1/s1
InChIKeyVPJAKCGLLZZCIA-OPYAIIAOSA-N
MW384.43 g/mol
LogP0.68
Rot. Bonds6

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

N-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide (PubChem CID 129185581) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
PubChem CID129185581
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
SMILESCN(C[C@]1(O)CO[C@H](CNC(=O)c2ccccc2)[C@H]1O)C(=O)c1ccccc1
InChIInChI=1S/C21H24N2O5/c1-23(20(26)16-10-6-3-7-11-16)13-21(27)14-28-17(18(21)24)12-22-19(25)15-8-4-2-5-9-15/h2-11,17-18,24,27H,12-14H2,1H3,(H,22,25)/t17-,18-,21+/m1/s1
InChIKeyVPJAKCGLLZZCIA-OPYAIIAOSA-N
XLogP0.68
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 118652223
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide
CID 118652204
N-[[(3S,4R,5R)-3,4-dihydroxy-5-[(phenylcarbamothioylamino)methyl]oxolan-3-yl]methyl]-N-hydroxybenzamide
CID 134466706
N-[[(2R,3R,4S)-4-(2-benzamidoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide
CID 129206718
N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-phenylbenzoyl)amino]methyl]oxolan-2-yl]methyl]pyridazine-4-carboxamide
CID 118652064
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-4,6-dichloropyridine-3-carboxamide
CID 129185589
N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-3,4-difluorobenzamide
CID 134466866
2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide
CID 118648786
N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide
CID 134466591
N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide
CID 118652260
N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide
CID 134466612
N-[[(1S,3R,4R,7S)-1-ethyl-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]heptan-3-yl]methyl]benzamide
CID 59483082

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide (CID 129185581) is N-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide is CN(C[C@]1(O)CO[C@H](CNC(=O)c2ccccc2)[C@H]1O)C(=O)c1ccccc1.
What is the InChIKey of N-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
The InChIKey is VPJAKCGLLZZCIA-OPYAIIAOSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-23(20(26)16-10-6-3-7-11-16)13-21(27)14-28-17(18(21)24)12-22-19(25)15-8-4-2-5-9-15/h2-11,17-18,24,27H,12-14H2,1H3,(H,22,25)/t17-,18-,21+/m1/s1.
What are the key properties of N-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
N-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide has a molecular weight of 384.43 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 129185581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).