[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate

C22H24N2O3 — CID 8898305

IUPAC[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCc1ccccc1CN(C)C(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C22H24N2O3/c1-14-7-5-6-8-18(14)12-24(4)21(25)13-27-22(26)17-9-10-20-19(11-17)15(2)16(3)23-20/h5-11,23H,12-13H2,1-4H3
InChIKeySZCFDMCAQHPPQZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.91
Rot. Bonds5

About [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate

[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate (PubChem CID 8898305) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
PubChem CID8898305
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCc1ccccc1CN(C)C(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C22H24N2O3/c1-14-7-5-6-8-18(14)12-24(4)21(25)13-27-22(26)17-9-10-20-19(11-17)15(2)16(3)23-20/h5-11,23H,12-13H2,1-4H3
InChIKeySZCFDMCAQHPPQZ-UHFFFAOYSA-N
XLogP3.91
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate with MolForge

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Related Compounds

2-(Ethoxycarbonyl)-1H-indole-5-carboxylic acid
CID 18071365
Methyl Carbazole-3-Carboxylate
CID 504069
Indocate
CID 65776
ethyl 5-methyl-1H-indole-2-carboxylate
CID 232919
1R,3S-Rsl 3
CID 40911229
Amindocate
CID 178144
ethyl 1-hydroxy-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylate
CID 2840871
Tipindole
CID 65595
methyl (1S,3R)-2-(2-chloroacetyl)-1-(4-methoxycarbonylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 1750826
Ethyl 3-(4-fluorobenzoyl)-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 25121533
propyl 3-[(4-fluorophenyl)carbonyl]-1H,2H,3H,6H-azepino[4,5-b]indole-5-carboxylate
CID 25223265
Methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate
CID 44143523

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
The IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate (CID 8898305) is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate.
What is the SMILES notation for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
The canonical SMILES for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate is Cc1ccccc1CN(C)C(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
The InChIKey is SZCFDMCAQHPPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-7-5-6-8-18(14)12-24(4)21(25)13-27-22(26)17-9-10-20-19(11-17)15(2)16(3)23-20/h5-11,23H,12-13H2,1-4H3.
What are the key properties of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate is sourced from PubChem (CID 8898305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).