N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide

C22H25NO5 — CID 163053730

IUPACN-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide
SMILESCO[C@H]1C[C@](C)(NC(=O)c2ccccc2)[C@@](O)(C(=O)c2ccccc2)[C@H](C)O1
InChIInChI=1S/C22H25NO5/c1-15-22(26,19(24)16-10-6-4-7-11-16)21(2,14-18(27-3)28-15)23-20(25)17-12-8-5-9-13-17/h4-13,15,18,26H,14H2,1-3H3,(H,23,25)/t15-,18+,21-,22-/m0/s1
InChIKeyQATRQQPVLUNGNR-XSLZUNGDSA-N
MW383.44 g/mol
LogP2.57
Rot. Bonds5

About N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide

N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide (PubChem CID 163053730) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide
PubChem CID163053730
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC NameN-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide
SMILESCO[C@H]1C[C@](C)(NC(=O)c2ccccc2)[C@@](O)(C(=O)c2ccccc2)[C@H](C)O1
InChIInChI=1S/C22H25NO5/c1-15-22(26,19(24)16-10-6-4-7-11-16)21(2,14-18(27-3)28-15)23-20(25)17-12-8-5-9-13-17/h4-13,15,18,26H,14H2,1-3H3,(H,23,25)/t15-,18+,21-,22-/m0/s1
InChIKeyQATRQQPVLUNGNR-XSLZUNGDSA-N
XLogP2.57
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide with MolForge

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Related Compounds

[(2S,3S,4S,6S)-6-methoxy-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] benzoate
CID 11653681
[(2R,3S,4S,6S)-6-methoxy-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] benzoate
CID 71652603
(1-benzoyl-2-methylcyclopropyl)-phenylmethanone
CID 132510708
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
methyl 2-benzoyloxirane-2-carboxylate
CID 14685242
N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide
CID 11138618
cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate
CID 102145889
(2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone
CID 15402871
[(2R)-2-methyl-3,3-diphenyloxiran-2-yl]-phenylmethanone
CID 100931886
methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate
CID 14077313
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]benzamide
CID 122388100
2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid
CID 70984722

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide?
The IUPAC name of N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide (CID 163053730) is N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide.
What is the SMILES notation for N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide?
The canonical SMILES for N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide is CO[C@H]1C[C@](C)(NC(=O)c2ccccc2)[C@@](O)(C(=O)c2ccccc2)[C@H](C)O1.
What is the InChIKey of N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide?
The InChIKey is QATRQQPVLUNGNR-XSLZUNGDSA-N. The full InChI is InChI=1S/C22H25NO5/c1-15-22(26,19(24)16-10-6-4-7-11-16)21(2,14-18(27-3)28-15)23-20(25)17-12-8-5-9-13-17/h4-13,15,18,26H,14H2,1-3H3,(H,23,25)/t15-,18+,21-,22-/m0/s1.
What are the key properties of N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide?
N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide has a molecular weight of 383.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide is sourced from PubChem (CID 163053730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).