N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide

C21H24N2O3 — CID 113206966

IUPACN-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c[nH]c2cc(OC)c(OC)cc12
InChIInChI=1S/C21H24N2O3/c1-5-13-8-7-9-14(6-2)20(13)23-21(24)16-12-22-17-11-19(26-4)18(25-3)10-15(16)17/h7-12,22H,5-6H2,1-4H3,(H,23,24)
InChIKeyBIKCHZBEYPMGQQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.56
Rot. Bonds6

About N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide

N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide (PubChem CID 113206966) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
PubChem CID113206966
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c[nH]c2cc(OC)c(OC)cc12
InChIInChI=1S/C21H24N2O3/c1-5-13-8-7-9-14(6-2)20(13)23-21(24)16-12-22-17-11-19(26-4)18(25-3)10-15(16)17/h7-12,22H,5-6H2,1-4H3,(H,23,24)
InChIKeyBIKCHZBEYPMGQQ-UHFFFAOYSA-N
XLogP4.56
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207048
5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
CID 113206946
N-(2,6-diethylphenyl)-1H-indole-3-carboxamide
CID 113205558
N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206252
N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207001
N-(2,6-diethylphenyl)-2,4,5-trimethoxybenzamide
CID 26880577
5,6-dimethoxy-N-(3-methoxyphenyl)-1H-indole-3-carboxamide
CID 113206986
N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206980
N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208457
5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206991
5,6-dimethoxy-N-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206992
N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206787

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide (CID 113206966) is N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide is CCc1cccc(CC)c1NC(=O)c1c[nH]c2cc(OC)c(OC)cc12.
What is the InChIKey of N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
The InChIKey is BIKCHZBEYPMGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-5-13-8-7-9-14(6-2)20(13)23-21(24)16-12-22-17-11-19(26-4)18(25-3)10-15(16)17/h7-12,22H,5-6H2,1-4H3,(H,23,24).
What are the key properties of N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).