N-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide

C24H22N2O3 — CID 4997643

IUPACN-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide
SMILESC=CCN(c1ccccc1)C(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-2-15-26(20-11-7-4-8-12-20)23(18-9-5-3-6-10-18)24(27)25-19-13-14-21-22(16-19)29-17-28-21/h2-14,16,23H,1,15,17H2,(H,25,27)
InChIKeyJPLMOBFYXQZXAX-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.79
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide

N-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide (PubChem CID 4997643) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide
PubChem CID4997643
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide
SMILESC=CCN(c1ccccc1)C(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-2-15-26(20-11-7-4-8-12-20)23(18-9-5-3-6-10-18)24(27)25-19-13-14-21-22(16-19)29-17-28-21/h2-14,16,23H,1,15,17H2,(H,25,27)
InChIKeyJPLMOBFYXQZXAX-UHFFFAOYSA-N
XLogP4.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.79
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide
CID 4985969
(2R)-N-(1,3-benzodioxol-5-yl)-2-(dibenzylamino)-2-phenylacetamide
CID 94233315
(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide
CID 93239229
N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide
CID 2559897
(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide
CID 8700986
(2S)-2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide
CID 94233312
N-(1,3-benzodioxol-5-yl)-3-phenyl-2-sulfanylpropanamide
CID 107021832
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3,3-diphenylpropanoate
CID 7795335
N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110426267
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821639
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide (CID 4997643) is N-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide is C=CCN(c1ccccc1)C(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide?
The InChIKey is JPLMOBFYXQZXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-2-15-26(20-11-7-4-8-12-20)23(18-9-5-3-6-10-18)24(27)25-19-13-14-21-22(16-19)29-17-28-21/h2-14,16,23H,1,15,17H2,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide has a molecular weight of 386.45 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-phenyl-2-(N-prop-2-enylanilino)acetamide is sourced from PubChem (CID 4997643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).