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

C20H20N2O3 — CID 47015682

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O3/c1-13-19(25-18-9-5-4-8-17(18)24-13)20(23)21-11-10-14-12-22-16-7-3-2-6-15(14)16/h2-9,12-13,19,22H,10-11H2,1H3,(H,21,23)
InChIKeyYZMDSRAYDZVMJG-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.06
Rot. Bonds4

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

N-[2-(1H-indol-3-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 47015682) 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]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID47015682
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O3/c1-13-19(25-18-9-5-4-8-17(18)24-13)20(23)21-11-10-14-12-22-16-7-3-2-6-15(14)16/h2-9,12-13,19,22H,10-11H2,1H3,(H,21,23)
InChIKeyYZMDSRAYDZVMJG-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109138511
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(1H-indol-3-yl)ethyl]-2-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 42397929
N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267223
1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 86812869
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 47015682) is N-[2-(1H-indol-3-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC1Oc2ccccc2OC1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is YZMDSRAYDZVMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-19(25-18-9-5-4-8-17(18)24-13)20(23)21-11-10-14-12-22-16-7-3-2-6-15(14)16/h2-9,12-13,19,22H,10-11H2,1H3,(H,21,23).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.06, 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]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 47015682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).