2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide

C18H19N3O4 — CID 113178426

IUPAC2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccncc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19N3O4/c1-13(22)21(12-18(23)20-11-14-4-6-19-7-5-14)15-2-3-16-17(10-15)25-9-8-24-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,23)
InChIKeyYSMNHJYHMJUMTF-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.52
Rot. Bonds5

About 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113178426) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113178426
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccncc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19N3O4/c1-13(22)21(12-18(23)20-11-14-4-6-19-7-5-14)15-2-3-16-17(10-15)25-9-8-24-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,23)
InChIKeyYSMNHJYHMJUMTF-UHFFFAOYSA-N
XLogP1.52
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113178253
2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113168470
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113178398
2-(N-acetyl-4-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169785
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 113175276
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide
CID 113178447
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108999855
2-(N-acetyl-4-methylanilino)-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113167686
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
CID 113178212
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113178483
2-[N-acetyl-4-(diethylamino)anilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113176854
2-(N-acetyl-3,5-dimethylanilino)-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113168466

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide (CID 113178426) is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1ccncc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is YSMNHJYHMJUMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-13(22)21(12-18(23)20-11-14-4-6-19-7-5-14)15-2-3-16-17(10-15)25-9-8-24-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,23).
What are the key properties of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide?
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113178426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).