N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C21H21N3O4 — CID 39040258

IUPACN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCNC(=O)COc1cccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C21H21N3O4/c1-3-22-18(25)12-28-15-8-6-7-14(11-15)24-21(27)20(26)19-13(2)23-17-10-5-4-9-16(17)19/h4-11,23H,3,12H2,1-2H3,(H,22,25)(H,24,27)
InChIKeyOGQDIEXXOZVKSE-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.81
Rot. Bonds7

About N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 39040258) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID39040258
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCNC(=O)COc1cccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C21H21N3O4/c1-3-22-18(25)12-28-15-8-6-7-14(11-15)24-21(27)20(26)19-13(2)23-17-10-5-4-9-16(17)19/h4-11,23H,3,12H2,1-2H3,(H,22,25)(H,24,27)
InChIKeyOGQDIEXXOZVKSE-UHFFFAOYSA-N
XLogP2.81
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(3-phenoxyphenyl)acetamide
CID 44596683
N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 5296029
N-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 39058628
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 38840945
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
6-tert-butyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1H-indole-2-carboxamide
CID 55655686
2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 34875961
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
CID 39043842
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317
2-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenoxy]-N-ethylacetamide
CID 34870464
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(4-propanoylphenoxy)acetamide
CID 34875030

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 39040258) is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is CCNC(=O)COc1cccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1.
What is the InChIKey of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is OGQDIEXXOZVKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-3-22-18(25)12-28-15-8-6-7-14(11-15)24-21(27)20(26)19-13(2)23-17-10-5-4-9-16(17)19/h4-11,23H,3,12H2,1-2H3,(H,22,25)(H,24,27).
What are the key properties of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 379.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 39040258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).