2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide

C22H28N2O4 — CID 108869872

IUPAC2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide
SMILESCCOc1cc(NC(=O)N2c3ccccc3CC2C)cc(OCC)c1OCC
InChIInChI=1S/C22H28N2O4/c1-5-26-19-13-17(14-20(27-6-2)21(19)28-7-3)23-22(25)24-15(4)12-16-10-8-9-11-18(16)24/h8-11,13-15H,5-7,12H2,1-4H3,(H,23,25)
InChIKeyHPFYARNAXGEXCP-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.87
Rot. Bonds7

About 2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide

2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 108869872) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide
PubChem CID108869872
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide
SMILESCCOc1cc(NC(=O)N2c3ccccc3CC2C)cc(OCC)c1OCC
InChIInChI=1S/C22H28N2O4/c1-5-26-19-13-17(14-20(27-6-2)21(19)28-7-3)23-22(25)24-15(4)12-16-10-8-9-11-18(16)24/h8-11,13-15H,5-7,12H2,1-4H3,(H,23,25)
InChIKeyHPFYARNAXGEXCP-UHFFFAOYSA-N
XLogP4.87
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108992032
N-(3-hydroxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108895859
N-(2-ethylphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108991479
N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108514504
N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108884531
2-methyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991651
N-(2,6-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108868023
N-(2-ethoxyphenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108983131
2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2944621
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3,4-diethoxybenzoate
CID 7381920
(2S)-N-(4-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 7733596
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110866632

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide (CID 108869872) is 2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide is CCOc1cc(NC(=O)N2c3ccccc3CC2C)cc(OCC)c1OCC.
What is the InChIKey of 2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is HPFYARNAXGEXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-26-19-13-17(14-20(27-6-2)21(19)28-7-3)23-22(25)24-15(4)12-16-10-8-9-11-18(16)24/h8-11,13-15H,5-7,12H2,1-4H3,(H,23,25).
What are the key properties of 2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide?
2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 108869872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).