2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide

C26H24N2O3 — CID 139216201

IUPAC2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)N(CCc1c[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C26H24N2O3/c29-26(15-20-10-11-24-25(14-20)31-18-30-24)28(17-19-6-2-1-3-7-19)13-12-21-16-27-23-9-5-4-8-22(21)23/h1-11,14,16,27H,12-13,15,17-18H2
InChIKeyMADIZJVSKFHFRH-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.71
Rot. Bonds7

About 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 139216201) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID139216201
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)N(CCc1c[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C26H24N2O3/c29-26(15-20-10-11-24-25(14-20)31-18-30-24)28(17-19-6-2-1-3-7-19)13-12-21-16-27-23-9-5-4-8-22(21)23/h1-11,14,16,27H,12-13,15,17-18H2
InChIKeyMADIZJVSKFHFRH-UHFFFAOYSA-N
XLogP4.71
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea
CID 42725646
3-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 42794151
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butyl-1,3-benzodioxole-5-carboxamide
CID 3309491
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 132819642
N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine
CID 53494673
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 42725647
N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 42725456
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 42772542
N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889
2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4245533
2-[benzyl(dimethylcarbamoyl)amino]-N-[[4-(dimethylamino)phenyl]methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 5038394
N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide
CID 4620268

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 139216201) is 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(Cc1ccc2c(c1)OCO2)N(CCc1c[nH]c2ccccc12)Cc1ccccc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is MADIZJVSKFHFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c29-26(15-20-10-11-24-25(14-20)31-18-30-24)28(17-19-6-2-1-3-7-19)13-12-21-16-27-23-9-5-4-8-22(21)23/h1-11,14,16,27H,12-13,15,17-18H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 412.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 139216201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).