N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C20H20N2O3 — CID 110763695

IUPACN-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCO2
InChIInChI=1S/C20H20N2O3/c1-13-10-18-19(25-9-8-24-18)11-16(13)20(23)21-7-6-14-12-22-17-5-3-2-4-15(14)17/h2-5,10-12,22H,6-9H2,1H3,(H,21,23)
InChIKeyKVXUCXJZWIRQNP-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.22
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 110763695) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID110763695
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCO2
InChIInChI=1S/C20H20N2O3/c1-13-10-18-19(25-9-8-24-18)11-16(13)20(23)21-7-6-14-12-22-17-5-3-2-4-15(14)17/h2-5,10-12,22H,6-9H2,1H3,(H,21,23)
InChIKeyKVXUCXJZWIRQNP-UHFFFAOYSA-N
XLogP3.22
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766157
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 113197917
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
CID 110295882
2-(2,3-dihydro-1-benzofuran-6-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 71754378
7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 136662226
2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645249
N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 27645841
5-[2-(1,3-benzodioxol-5-yl)ethynyl]-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxybenzamide
CID 71090469
6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide
CID 41359467

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 110763695) is N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1cc2c(cc1C(=O)NCCc1c[nH]c3ccccc13)OCCO2.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is KVXUCXJZWIRQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-10-18-19(25-9-8-24-18)11-16(13)20(23)21-7-6-14-12-22-17-5-3-2-4-15(14)17/h2-5,10-12,22H,6-9H2,1H3,(H,21,23).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 110763695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).