N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide

C18H14N2O4 — CID 5304336

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H14N2O4/c21-17(13-10-19-14-4-2-1-3-12(13)14)18(22)20-11-5-6-15-16(9-11)24-8-7-23-15/h1-6,9-10,19H,7-8H2,(H,20,22)
InChIKeyDJNRVNKKGUZCQU-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.76
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 5304336) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID5304336
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H14N2O4/c21-17(13-10-19-14-4-2-1-3-12(13)14)18(22)20-11-5-6-15-16(9-11)24-8-7-23-15/h1-6,9-10,19H,7-8H2,(H,20,22)
InChIKeyDJNRVNKKGUZCQU-UHFFFAOYSA-N
XLogP2.76
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
N-(6-phenoxypyridin-3-yl)-1H-indole-3-carboxamide
CID 44250365
3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 9823464
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11154775
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid methyl ester
CID 11168397
(6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11291211
2-((3,5-dimethoxyphenyl)amino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916879
1-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 1769607
2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 2227674

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide (CID 5304336) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is DJNRVNKKGUZCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-17(13-10-19-14-4-2-1-3-12(13)14)18(22)20-11-5-6-15-16(9-11)24-8-7-23-15/h1-6,9-10,19H,7-8H2,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 322.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 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-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 5304336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).