N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide

C19H18N2O3 — CID 134002695

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCC3COc4ccccc4O3)[nH]c2c1
InChIInChI=1S/C19H18N2O3/c1-12-6-7-13-9-16(21-15(13)8-12)19(22)20-10-14-11-23-17-4-2-3-5-18(17)24-14/h2-9,14,21H,10-11H2,1H3,(H,20,22)
InChIKeyNNBUHKMSIIPXJM-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.05
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide (PubChem CID 134002695) 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-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide
PubChem CID134002695
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCC3COc4ccccc4O3)[nH]c2c1
InChIInChI=1S/C19H18N2O3/c1-12-6-7-13-9-16(21-15(13)8-12)19(22)20-10-14-11-23-17-4-2-3-5-18(17)24-14/h2-9,14,21H,10-11H2,1H3,(H,20,22)
InChIKeyNNBUHKMSIIPXJM-UHFFFAOYSA-N
XLogP3.05
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylbenzamide
CID 7758589
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethylbenzamide
CID 7758543
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethylbenzamide
CID 40551299
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluoro-4-methylbenzamide
CID 17459252
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 8571347
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 133250564
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 125071446
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 8872816
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55388170
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 98623177
2-(2-chloro-5-methylphenoxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 7758361
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide (CID 134002695) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)NCC3COc4ccccc4O3)[nH]c2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide?
The InChIKey is NNBUHKMSIIPXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-6-7-13-9-16(21-15(13)8-12)19(22)20-10-14-11-23-17-4-2-3-5-18(17)24-14/h2-9,14,21H,10-11H2,1H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 134002695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).