2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide

C19H20N2O4 — CID 113169371

IUPAC2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)C(C)=O)cc1
InChIInChI=1S/C19H20N2O4/c1-3-14-4-7-16(8-5-14)21(13(2)22)11-19(23)20-15-6-9-17-18(10-15)25-12-24-17/h4-10H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyXJWYEOUJQVZEAP-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.97
Rot. Bonds5

About 2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide

2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 113169371) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID113169371
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)C(C)=O)cc1
InChIInChI=1S/C19H20N2O4/c1-3-14-4-7-16(8-5-14)21(13(2)22)11-19(23)20-15-6-9-17-18(10-15)25-12-24-17/h4-10H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyXJWYEOUJQVZEAP-UHFFFAOYSA-N
XLogP2.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178353
ethyl 4-[acetyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]benzoate
CID 113178909
1-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)urea
CID 6466543
2-(N-acetyl-4-ethylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113169304
2-(N-acetyl-4-ethylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113169343
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113170871
2-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113169312
2-(N-acetyl-3,5-dichloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113179927
2-[N-acetyl-4-(diethylamino)anilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113176854
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113181908
2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide
CID 113181652

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide (CID 113169371) is 2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide is CCc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)C(C)=O)cc1.
What is the InChIKey of 2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is XJWYEOUJQVZEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-14-4-7-16(8-5-14)21(13(2)22)11-19(23)20-15-6-9-17-18(10-15)25-12-24-17/h4-10H,3,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 113169371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).