N-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide

C21H24N2O5 — CID 118652074

IUPACN-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide
SMILESCN(C[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O)C(=O)c1ccccc1
InChIInChI=1S/C21H24N2O5/c1-23(20(26)16-10-6-3-7-11-16)12-17-18(24)21(27,14-28-17)13-22-19(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
InChIKeyKQWGYGVUFJORGF-OPYAIIAOSA-N
MW384.43 g/mol
LogP0.68
Rot. Bonds6

About N-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide

N-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide (PubChem CID 118652074) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide
PubChem CID118652074
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide
SMILESCN(C[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O)C(=O)c1ccccc1
InChIInChI=1S/C21H24N2O5/c1-23(20(26)16-10-6-3-7-11-16)12-17-18(24)21(27,14-28-17)13-22-19(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
InChIKeyKQWGYGVUFJORGF-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

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
The IUPAC name of N-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide (CID 118652074) is N-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
The canonical SMILES for N-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide is CN(C[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O)C(=O)c1ccccc1.
What is the InChIKey of N-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
The InChIKey is KQWGYGVUFJORGF-OPYAIIAOSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-23(20(26)16-10-6-3-7-11-16)12-17-18(24)21(27,14-28-17)13-22-19(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-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
N-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-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-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide is sourced from PubChem (CID 118652074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).