N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide

C25H24N2O3 — CID 4985969

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide
SMILESC=CCN(c1ccccc1)C(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C25H24N2O3/c1-2-15-27(21-11-7-4-8-12-21)24(19-9-5-3-6-10-19)25(28)26-20-13-14-22-23(18-20)30-17-16-29-22/h2-14,18,24H,1,15-17H2,(H,26,28)
InChIKeyUHWOHDHJQJOROI-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.83
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide (PubChem CID 4985969) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide
PubChem CID4985969
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide
SMILESC=CCN(c1ccccc1)C(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C25H24N2O3/c1-2-15-27(21-11-7-4-8-12-21)24(19-9-5-3-6-10-19)25(28)26-20-13-14-22-23(18-20)30-17-16-29-22/h2-14,18,24H,1,15-17H2,(H,26,28)
InChIKeyUHWOHDHJQJOROI-UHFFFAOYSA-N
XLogP4.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide
CID 4997643
(2S)-2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide
CID 94233312
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-2-phenylacetamide
CID 1076352
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
CID 51866041
(2R)-N-(1,3-benzodioxol-5-yl)-2-(dibenzylamino)-2-phenylacetamide
CID 94233315
N-[(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide
CID 7044138
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide
CID 2948413
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide
CID 3882044
(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide
CID 93239229
(2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 8896524
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide
CID 7707153

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide (CID 4985969) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide is C=CCN(c1ccccc1)C(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide?
The InChIKey is UHWOHDHJQJOROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-2-15-27(21-11-7-4-8-12-21)24(19-9-5-3-6-10-19)25(28)26-20-13-14-22-23(18-20)30-17-16-29-22/h2-14,18,24H,1,15-17H2,(H,26,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide has a molecular weight of 400.48 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide is sourced from PubChem (CID 4985969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).