N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide

C13H25NO6 — CID 67799458

IUPACN-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1O[C@H](OC)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C13H25NO6/c1-6-9(15)14-7-8-10(16-2)11(17-3)12(18-4)13(19-5)20-8/h8,10-13H,6-7H2,1-5H3,(H,14,15)/t8-,10-,11+,12-,13+/m1/s1
InChIKeyQLCUSYAZPMQCKQ-ZMHPAJMFSA-N
MW291.34 g/mol
LogP-0.07
Rot. Bonds7

About N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide

N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide (PubChem CID 67799458) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide
PubChem CID67799458
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC NameN-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1O[C@H](OC)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C13H25NO6/c1-6-9(15)14-7-8-10(16-2)11(17-3)12(18-4)13(19-5)20-8/h8,10-13H,6-7H2,1-5H3,(H,14,15)/t8-,10-,11+,12-,13+/m1/s1
InChIKeyQLCUSYAZPMQCKQ-ZMHPAJMFSA-N
XLogP-0.07
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide with MolForge

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Related Compounds

N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide
CID 11708716
N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide
CID 22214877
2,3,4,5,6-pentamethoxyoxane
CID 568209
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
(2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane
CID 14374457
[(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate
CID 14447784
N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]butanamide
CID 25269638
[2-[ethyl-[2-[[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-trisulfooxyoxan-2-yl]methylamino]-2-oxoethyl]amino]-2-oxoethyl] hydrogen sulfate
CID 70689049
[(2R,3R,4S,5S,6S)-5-acetyloxy-3,4,6-trimethoxyoxan-2-yl]methyl acetate
CID 22214452
[4,5-diacetyloxy-6-methoxy-2-(methylaminomethyl)oxan-3-yl] acetate
CID 147641318
[(3R,5S,6S)-4,5-diacetyloxy-2-[(cyclopentanecarbonylamino)methyl]-6-methoxyoxan-3-yl] acetate
CID 140500785
(2S)-2-[[4-[[(3S,4S,6S)-4,5-dimethoxy-3-methyl-6-[(3S,4S,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-2-yl]methylamino]-4-oxobutanoyl]amino]-N,N'-didodecylbutanediamide
CID 58899260

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide?
The IUPAC name of N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide (CID 67799458) is N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide?
The canonical SMILES for N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide is CCC(=O)NC[C@H]1O[C@H](OC)[C@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide?
The InChIKey is QLCUSYAZPMQCKQ-ZMHPAJMFSA-N. The full InChI is InChI=1S/C13H25NO6/c1-6-9(15)14-7-8-10(16-2)11(17-3)12(18-4)13(19-5)20-8/h8,10-13H,6-7H2,1-5H3,(H,14,15)/t8-,10-,11+,12-,13+/m1/s1.
What are the key properties of N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide?
N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide has a molecular weight of 291.34 g/mol, XLogP of -0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide is sourced from PubChem (CID 67799458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).