N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide

C18H26N2O6 — CID 40781615

IUPACN-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide
SMILESCOCC(=O)NC[C@H]1O[C@@H](CC(=O)N(C)Cc2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H26N2O6/c1-20(10-12-6-4-3-5-7-12)16(22)8-13-17(23)18(24)14(26-13)9-19-15(21)11-25-2/h3-7,13-14,17-18,23-24H,8-11H2,1-2H3,(H,19,21)/t13-,14+,17-,18+/m0/s1
InChIKeyRFSCBMVRGOCGLT-IHETXDGRSA-N
MW366.41 g/mol
LogP-0.71
Rot. Bonds8

About N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide

N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide (PubChem CID 40781615) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide
PubChem CID40781615
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC NameN-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide
SMILESCOCC(=O)NC[C@H]1O[C@@H](CC(=O)N(C)Cc2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H26N2O6/c1-20(10-12-6-4-3-5-7-12)16(22)8-13-17(23)18(24)14(26-13)9-19-15(21)11-25-2/h3-7,13-14,17-18,23-24H,8-11H2,1-2H3,(H,19,21)/t13-,14+,17-,18+/m0/s1
InChIKeyRFSCBMVRGOCGLT-IHETXDGRSA-N
XLogP-0.71
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide (CID 40781615) is N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide is COCC(=O)NC[C@H]1O[C@@H](CC(=O)N(C)Cc2ccccc2)[C@H](O)[C@@H]1O.
What is the InChIKey of N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide?
The InChIKey is RFSCBMVRGOCGLT-IHETXDGRSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-20(10-12-6-4-3-5-7-12)16(22)8-13-17(23)18(24)14(26-13)9-19-15(21)11-25-2/h3-7,13-14,17-18,23-24H,8-11H2,1-2H3,(H,19,21)/t13-,14+,17-,18+/m0/s1.
What are the key properties of N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide?
N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide has a molecular weight of 366.41 g/mol, XLogP of -0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-methylacetamide is sourced from PubChem (CID 40781615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).