2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide

C19H19NO5 — CID 7763941

IUPAC2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H19NO5/c1-12(15-5-8-17-18(9-15)25-11-24-17)20-19(22)10-23-16-6-3-14(4-7-16)13(2)21/h3-9,12H,10-11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyXUYFOSCZGOTORX-LBPRGKRZSA-N
MW341.36 g/mol
LogP2.87
Rot. Bonds6

About 2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide

2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide (PubChem CID 7763941) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide
PubChem CID7763941
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H19NO5/c1-12(15-5-8-17-18(9-15)25-11-24-17)20-19(22)10-23-16-6-3-14(4-7-16)13(2)21/h3-9,12H,10-11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyXUYFOSCZGOTORX-LBPRGKRZSA-N
XLogP2.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 8604827
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 51140353
N-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide
CID 123563613
[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194364
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 18082174
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 92540665
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 18133884
2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide
CID 55747511
[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 8529453
[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 8708153

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide (CID 7763941) is 2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide is CC(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide?
The InChIKey is XUYFOSCZGOTORX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19NO5/c1-12(15-5-8-17-18(9-15)25-11-24-17)20-19(22)10-23-16-6-3-14(4-7-16)13(2)21/h3-9,12H,10-11H2,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of 2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide?
2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide has a molecular weight of 341.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide is sourced from PubChem (CID 7763941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).