3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide

C16H23NO7 — CID 101118546

IUPAC3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
SMILESCOc1ccccc1CCC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H23NO7/c1-23-10-5-3-2-4-9(10)6-7-12(19)17-16-15(22)14(21)13(20)11(8-18)24-16/h2-5,11,13-16,18,20-22H,6-8H2,1H3,(H,17,19)/t11-,13+,14+,15-,16-/m1/s1
InChIKeyDKFCLKYETQKZFW-DZQJYWQESA-N
MW341.36 g/mol
LogP-1.46
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide

3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide (PubChem CID 101118546) has the molecular formula C16H23NO7 and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
PubChem CID101118546
Molecular FormulaC16H23NO7
Molecular Weight341.36 g/mol
Exact Mass341.15
IUPAC Name3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
SMILESCOc1ccccc1CCC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H23NO7/c1-23-10-5-3-2-4-9(10)6-7-12(19)17-16-15(22)14(21)13(20)11(8-18)24-16/h2-5,11,13-16,18,20-22H,6-8H2,1H3,(H,17,19)/t11-,13+,14+,15-,16-/m1/s1
InChIKeyDKFCLKYETQKZFW-DZQJYWQESA-N
XLogP-1.46
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 5-1.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol
CID 141165758
(2R,3S,4R,5R)-2-(hydroxymethyl)-6-[(2-methoxyphenyl)methyl]oxane-3,4,5-triol
CID 25183839
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
N,N'-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexadecanediamide
CID 54571177
N,N'-bis[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]dodecanediamide
CID 56631374
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
CID 104956713
1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoylamino]phenyl]urea
CID 122213600
3-(1-phenyltriazol-4-yl)-N-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
CID 126842899
N-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 101008642
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 742489
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 70179974
N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide
CID 17461561

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide (CID 101118546) is 3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide is COc1ccccc1CCC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
The InChIKey is DKFCLKYETQKZFW-DZQJYWQESA-N. The full InChI is InChI=1S/C16H23NO7/c1-23-10-5-3-2-4-9(10)6-7-12(19)17-16-15(22)14(21)13(20)11(8-18)24-16/h2-5,11,13-16,18,20-22H,6-8H2,1H3,(H,17,19)/t11-,13+,14+,15-,16-/m1/s1.
What are the key properties of 3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide has a molecular weight of 341.36 g/mol, XLogP of -1.46, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide is sourced from PubChem (CID 101118546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).