ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate

C20H24N2O3 — CID 109007993

IUPACethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-5-25-20(24)16-6-8-17(9-7-16)21-12-18(23)22-19-14(3)10-13(2)11-15(19)4/h6-11,21H,5,12H2,1-4H3,(H,22,23)
InChIKeyMCVHGJQDUVNOIQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.84
Rot. Bonds6

About ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate

ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate (PubChem CID 109007993) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate
PubChem CID109007993
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nameethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-5-25-20(24)16-6-8-17(9-7-16)21-12-18(23)22-19-14(3)10-13(2)11-15(19)4/h6-11,21H,5,12H2,1-4H3,(H,22,23)
InChIKeyMCVHGJQDUVNOIQ-UHFFFAOYSA-N
XLogP3.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54834460
ethyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009646
ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate
CID 109011040
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-methylbenzoate
CID 7695929
ethyl 4-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]benzoate
CID 109010353
ethyl 4-[[2-(butylamino)-2-oxoethyl]amino]benzoate
CID 86908699
ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate
CID 109009936
ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate
CID 156597569
ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate
CID 29470932
ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 51178437
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-chlorobenzoate
CID 7483934
N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide
CID 54845496

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate (CID 109007993) is ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate is CCOC(=O)c1ccc(NCC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate?
The InChIKey is MCVHGJQDUVNOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-25-20(24)16-6-8-17(9-7-16)21-12-18(23)22-19-14(3)10-13(2)11-15(19)4/h6-11,21H,5,12H2,1-4H3,(H,22,23).
What are the key properties of ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate?
ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate has a molecular weight of 340.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate is sourced from PubChem (CID 109007993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).