N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

C17H25NO6 — CID 91761693

IUPACN-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N[C@@H]2CCOC[C@H]2OC)cc(OC)c1OC
InChIInChI=1S/C17H25NO6/c1-20-13-7-11(8-14(21-2)17(13)23-4)9-16(19)18-12-5-6-24-10-15(12)22-3/h7-8,12,15H,5-6,9-10H2,1-4H3,(H,18,19)/t12-,15-/m1/s1
InChIKeyIOIWZMBYFZFEQD-IUODEOHRSA-N
MW339.39 g/mol
LogP1.17
Rot. Bonds7

About N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 91761693) has the molecular formula C17H25NO6 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID91761693
Molecular FormulaC17H25NO6
Molecular Weight339.39 g/mol
Exact Mass339.17
IUPAC NameN-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N[C@@H]2CCOC[C@H]2OC)cc(OC)c1OC
InChIInChI=1S/C17H25NO6/c1-20-13-7-11(8-14(21-2)17(13)23-4)9-16(19)18-12-5-6-24-10-15(12)22-3/h7-8,12,15H,5-6,9-10H2,1-4H3,(H,18,19)/t12-,15-/m1/s1
InChIKeyIOIWZMBYFZFEQD-IUODEOHRSA-N
XLogP1.17
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide
CID 77089658
N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 51165959
N-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 124607013
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid
CID 120547869
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465
2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide
CID 91774837
2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide
CID 91789115
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-(9-methylcarbazol-3-yl)acetamide
CID 91772197
[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2365804
N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 91780552
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide
CID 91762361

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 91761693) is N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)N[C@@H]2CCOC[C@H]2OC)cc(OC)c1OC.
What is the InChIKey of N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is IOIWZMBYFZFEQD-IUODEOHRSA-N. The full InChI is InChI=1S/C17H25NO6/c1-20-13-7-11(8-14(21-2)17(13)23-4)9-16(19)18-12-5-6-24-10-15(12)22-3/h7-8,12,15H,5-6,9-10H2,1-4H3,(H,18,19)/t12-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 339.39 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 91761693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).