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

C20H20N2O3 — CID 134032937

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NCc3ccc4c(c3)OCCO4)[nH]c2c1
InChIInChI=1S/C20H20N2O3/c1-12-7-13(2)15-10-17(22-16(15)8-12)20(23)21-11-14-3-4-18-19(9-14)25-6-5-24-18/h3-4,7-10,22H,5-6,11H2,1-2H3,(H,21,23)
InChIKeyVKNKSJFUIFMDEV-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.49
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 134032937) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide
PubChem CID134032937
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NCc3ccc4c(c3)OCCO4)[nH]c2c1
InChIInChI=1S/C20H20N2O3/c1-12-7-13(2)15-10-17(22-16(15)8-12)20(23)21-11-14-3-4-18-19(9-14)25-6-5-24-18/h3-4,7-10,22H,5-6,11H2,1-2H3,(H,21,23)
InChIKeyVKNKSJFUIFMDEV-UHFFFAOYSA-N
XLogP3.49
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 46663573
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 35859565
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27761173
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methoxy-4-methylbenzamide
CID 27761365
N-[2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 46569595
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxopropanamide
CID 115175589
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 62232279
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1H-indole-2-carboxamide
CID 110863295
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1H-indole-2-carboxamide
CID 110851797
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide
CID 31308040
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide
CID 47097422
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3,4,5-tetrafluorobenzamide
CID 112794847

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide (CID 134032937) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)NCc3ccc4c(c3)OCCO4)[nH]c2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is VKNKSJFUIFMDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-7-13(2)15-10-17(22-16(15)8-12)20(23)21-11-14-3-4-18-19(9-14)25-6-5-24-18/h3-4,7-10,22H,5-6,11H2,1-2H3,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.49, 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-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 134032937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).