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

C21H24N2O4 — CID 113178476

IUPAC2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O4/c1-14(2)16-4-6-17(7-5-16)22-21(25)13-23(15(3)24)18-8-9-19-20(12-18)27-11-10-26-19/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyXZGOHXUETRTVHI-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.57
Rot. Bonds5

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

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 113178476) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID113178476
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O4/c1-14(2)16-4-6-17(7-5-16)22-21(25)13-23(15(3)24)18-8-9-19-20(12-18)27-11-10-26-19/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyXZGOHXUETRTVHI-UHFFFAOYSA-N
XLogP3.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113178483
2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113175968
ethyl 4-[[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]acetyl]amino]benzoate
CID 113178523
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178353
2-(N-acetyl-3,5-dichloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113179927
2-(N-acetyl-4-propan-2-ylanilino)-N-phenylacetamide
CID 113169827
2-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113169312
2-(N-acetyl-3-fluoroanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113177670
2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113177946
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113133087
2-(N-acetyl-4-methoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113173591
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide
CID 113178447

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide (CID 113178476) is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is XZGOHXUETRTVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(2)16-4-6-17(7-5-16)22-21(25)13-23(15(3)24)18-8-9-19-20(12-18)27-11-10-26-19/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,25).
What are the key properties of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide?
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 368.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113178476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).