N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C20H22N2O4 — CID 47006858

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N(C)CC2COc3ccccc3O2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C20H22N2O4/c1-12-18-14(6-5-7-15(18)23)21-19(12)20(24)22(2)10-13-11-25-16-8-3-4-9-17(16)26-13/h3-4,8-9,13,21H,5-7,10-11H2,1-2H3
InChIKeyCOORQAUSJLBQEK-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.75
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 47006858) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID47006858
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N(C)CC2COc3ccccc3O2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C20H22N2O4/c1-12-18-14(6-5-7-15(18)23)21-19(12)20(24)22(2)10-13-11-25-16-8-3-4-9-17(16)26-13/h3-4,8-9,13,21H,5-7,10-11H2,1-2H3
InChIKeyCOORQAUSJLBQEK-UHFFFAOYSA-N
XLogP2.75
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 30889954
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 40633418
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,5-trimethylfuran-3-carboxamide
CID 112792039
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 43009601
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,4-trimethylbenzamide
CID 51144829
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 27793935
N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31793322
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methylacetamide
CID 99994544
5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 94521608
5-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylfuran-2-carboxamide
CID 31984678
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-N-methylbenzamide
CID 51144792
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-3-[(5-methylthiophen-2-yl)methyl]urea
CID 51118050

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 47006858) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)N(C)CC2COc3ccccc3O2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is COORQAUSJLBQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12-18-14(6-5-7-15(18)23)21-19(12)20(24)22(2)10-13-11-25-16-8-3-4-9-17(16)26-13/h3-4,8-9,13,21H,5-7,10-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 47006858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).