ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate

C21H25N3O4 — CID 24614987

IUPACethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H25N3O4/c1-4-28-21(27)16-7-11-17(12-8-16)22-13-20(26)24(3)14-19(25)23-18-9-5-15(2)6-10-18/h5-12,22H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyQITNUYQTKOGOIN-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.68
Rot. Bonds8

About ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate

ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate (PubChem CID 24614987) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate
PubChem CID24614987
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Nameethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H25N3O4/c1-4-28-21(27)16-7-11-17(12-8-16)22-13-20(26)24(3)14-19(25)23-18-9-5-15(2)6-10-18/h5-12,22H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyQITNUYQTKOGOIN-UHFFFAOYSA-N
XLogP2.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]benzoate
CID 109010353
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-phenylbenzoate
CID 2520530
2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 24562343
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 7744614
methyl 4-[[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 7636745
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8553367
ethyl 4-[[2-[ethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 4675849
ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]benzoate
CID 113149927
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-(2-methoxyethylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 119677951
ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate
CID 109007993
ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate
CID 109011040

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate (CID 24614987) is ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate is CCOC(=O)c1ccc(NCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate?
The InChIKey is QITNUYQTKOGOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-28-21(27)16-7-11-17(12-8-16)22-13-20(26)24(3)14-19(25)23-18-9-5-15(2)6-10-18/h5-12,22H,4,13-14H2,1-3H3,(H,23,25).
What are the key properties of ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate?
ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate has a molecular weight of 383.45 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 24614987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).