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

C19H18N2O3 — CID 110752269

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N2O3/c1-21(14-6-7-17-18(11-14)24-9-8-23-17)19(22)10-13-12-20-16-5-3-2-4-15(13)16/h2-7,11-12,20H,8-10H2,1H3
InChIKeyVPWCJKUNRBTYMW-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.14
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide (PubChem CID 110752269) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide
PubChem CID110752269
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N2O3/c1-21(14-6-7-17-18(11-14)24-9-8-23-17)19(22)10-13-12-20-16-5-3-2-4-15(13)16/h2-7,11-12,20H,8-10H2,1H3
InChIKeyVPWCJKUNRBTYMW-UHFFFAOYSA-N
XLogP3.14
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide
CID 167803421
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide
CID 3882044
[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960363
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 28794596
N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 8850570
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide
CID 110752841
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
(2R)-N-cyclohexyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-ethoxyphenyl)acetamide
CID 98097728
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-phenylpropanamide
CID 110752814
2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752851
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide
CID 18190703
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide (CID 110752269) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide is CN(C(=O)Cc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide?
The InChIKey is VPWCJKUNRBTYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-21(14-6-7-17-18(11-14)24-9-8-23-17)19(22)10-13-12-20-16-5-3-2-4-15(13)16/h2-7,11-12,20H,8-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide has a molecular weight of 322.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 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)-N-methylacetamide is sourced from PubChem (CID 110752269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).