N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide

C29H25NO3 — CID 11774905

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H25NO3/c31-28(30-19-18-22-16-17-26-27(20-22)33-21-32-26)29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-17,20H,18-19,21H2,(H,30,31)
InChIKeyRAJAREXHWJBZEG-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.11
Rot. Bonds7

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide (PubChem CID 11774905) has the molecular formula C29H25NO3 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide
PubChem CID11774905
Molecular FormulaC29H25NO3
Molecular Weight435.52 g/mol
Exact Mass435.18
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H25NO3/c31-28(30-19-18-22-16-17-26-27(20-22)33-21-32-26)29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-17,20H,18-19,21H2,(H,30,31)
InChIKeyRAJAREXHWJBZEG-UHFFFAOYSA-N
XLogP5.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide
CID 94878697
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167361
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide
CID 17491004
N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
CID 18117805
3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide
CID 56522758
N-[1-[2-(1,3-benzodioxol-5-yl)ethylamino]-1-oxopropan-2-yl]benzamide
CID 18159582
methyl 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoacetate
CID 14564794
cis-(1S,2R)-2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125153991
1-[(2S)-1-(1,3-benzodioxol-5-yl)-3-phenylpropan-2-yl]-3-(2-phenylethyl)urea
CID 92865381
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39444927
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158021
2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide
CID 110767409

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide (CID 11774905) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide is O=C(NCCc1ccc2c(c1)OCO2)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide?
The InChIKey is RAJAREXHWJBZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO3/c31-28(30-19-18-22-16-17-26-27(20-22)33-21-32-26)29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-17,20H,18-19,21H2,(H,30,31).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide has a molecular weight of 435.52 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide is sourced from PubChem (CID 11774905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).