N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

C20H22N2O3 — CID 108510404

IUPACN-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C20H22N2O3/c1-13-12-16-6-4-5-7-18(16)22(13)20(24)19(23)21-14(2)15-8-10-17(25-3)11-9-15/h4-11,13-14H,12H2,1-3H3,(H,21,23)
InChIKeyHQXBRJRIHKLTSE-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.85
Rot. Bonds3

About N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 108510404) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID108510404
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C20H22N2O3/c1-13-12-16-6-4-5-7-18(16)22(13)20(24)19(23)21-14(2)15-8-10-17(25-3)11-9-15/h4-11,13-14H,12H2,1-3H3,(H,21,23)
InChIKeyHQXBRJRIHKLTSE-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.85
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-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108510629
N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 47333098
N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108514504
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 8904879
N-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108948863
2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3228047
N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108513998
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8635542
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
2-methyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991651
(2S)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 7812758

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 108510404) is N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is COc1ccc(C(C)NC(=O)C(=O)N2c3ccccc3CC2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is HQXBRJRIHKLTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-12-16-6-4-5-7-18(16)22(13)20(24)19(23)21-14(2)15-8-10-17(25-3)11-9-15/h4-11,13-14H,12H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 338.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108510404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).