N-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide

C17H14N2O3 — CID 2952789

IUPACN-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N2O3/c20-17(10-19-8-7-12-3-1-2-4-14(12)19)18-13-5-6-15-16(9-13)22-11-21-15/h1-9H,10-11H2,(H,18,20)
InChIKeyKYHXMKWLCOGVNV-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.01
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide

N-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide (PubChem CID 2952789) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide
PubChem CID2952789
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N2O3/c20-17(10-19-8-7-12-3-1-2-4-14(12)19)18-13-5-6-15-16(9-13)22-11-21-15/h1-9H,10-11H2,(H,18,20)
InChIKeyKYHXMKWLCOGVNV-UHFFFAOYSA-N
XLogP3.01
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Solypertine
CID 20517
3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 9823464
3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-butyl]-1H-indole-5-carbonitrile
CID 11249411
2-(3,4-Dimethoxyanilino)-1-(2,3-dimethylindol-1-yl)ethanone
CID 845354
3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-butyl]-5-fluoro-1H-indole
CID 11293380
3-[4-(4-Benzo[1,3]dioxol-5-yl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-5-methoxy-1H-indole
CID 44396410
2-(3-cyano-1H-indol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 951755
N'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 3149536
N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117369
N-(3,4-Dimethoxy-phenyl)-N'-quinolin-8-yl-oxalamide
CID 24746898
N-[2-(6-methoxyindol-1-yl)ethyl]acetamide
CID 10609616
3-[(1,3-benzodioxol-5-ylamino)methylene]-1,3-dihydro-2H-indol-2-one
CID 2256152

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide (CID 2952789) is N-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide is O=C(Cn1ccc2ccccc21)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide?
The InChIKey is KYHXMKWLCOGVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-17(10-19-8-7-12-3-1-2-4-14(12)19)18-13-5-6-15-16(9-13)22-11-21-15/h1-9H,10-11H2,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide?
N-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide has a molecular weight of 294.31 g/mol, XLogP of 3.01, 3 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-indol-1-ylacetamide is sourced from PubChem (CID 2952789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).