N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

C22H26N2O3 — CID 108510629

IUPACN-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C22H26N2O3/c1-5-27-20-11-10-14(2)12-18(20)16(4)23-21(25)22(26)24-15(3)13-17-8-6-7-9-19(17)24/h6-12,15-16H,5,13H2,1-4H3,(H,23,25)
InChIKeyJRVWJQDHUXCOKY-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.55
Rot. Bonds4

About N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 108510629) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID108510629
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C22H26N2O3/c1-5-27-20-11-10-14(2)12-18(20)16(4)23-21(25)22(26)24-15(3)13-17-8-6-7-9-19(17)24/h6-12,15-16H,5,13H2,1-4H3,(H,23,25)
InChIKeyJRVWJQDHUXCOKY-UHFFFAOYSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108510494
N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108510404
1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108510642
N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108514504
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 7381891
2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 43909683
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112973581
N-(2-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108992032
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide
CID 108510519
2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide
CID 108869872
N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 47333098
(Z)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(4-methylpiperazin-1-yl)prop-2-enamide
CID 108847774

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 108510629) is N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is CCOc1ccc(C)cc1C(C)NC(=O)C(=O)N1c2ccccc2CC1C.
What is the InChIKey of N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is JRVWJQDHUXCOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-5-27-20-11-10-14(2)12-18(20)16(4)23-21(25)22(26)24-15(3)13-17-8-6-7-9-19(17)24/h6-12,15-16H,5,13H2,1-4H3,(H,23,25).
What are the key properties of N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 366.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108510629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).