2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide

C19H21N3O4 — CID 113178353

IUPAC2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H21N3O4/c1-13(23)22(16-8-9-17-18(10-16)26-12-25-17)11-19(24)20-14-4-6-15(7-5-14)21(2)3/h4-10H,11-12H2,1-3H3,(H,20,24)
InChIKeyPFYHGINDEMEOOH-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.47
Rot. Bonds5

About 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide

2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 113178353) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID113178353
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H21N3O4/c1-13(23)22(16-8-9-17-18(10-16)26-12-25-17)11-19(24)20-14-4-6-15(7-5-14)21(2)3/h4-10H,11-12H2,1-3H3,(H,20,24)
InChIKeyPFYHGINDEMEOOH-UHFFFAOYSA-N
XLogP2.47
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113178483
2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113169371
N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
CID 113176781
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113178476
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(4-methylphenyl)propanamide
CID 113132890
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113132915
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
CID 113178212
ethyl 4-[[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]acetyl]amino]benzoate
CID 113178523
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide
CID 113178218
methyl 4-[3-[acetyl(1,3-benzodioxol-5-yl)amino]propanoylamino]benzoate
CID 113132944

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide (CID 113178353) is 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide is CC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is PFYHGINDEMEOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13(23)22(16-8-9-17-18(10-16)26-12-25-17)11-19(24)20-14-4-6-15(7-5-14)21(2)3/h4-10H,11-12H2,1-3H3,(H,20,24).
What are the key properties of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide?
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 355.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 113178353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).