[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate

C22H28N2O3 — CID 7665500

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C22H28N2O3/c1-5-17-10-8-9-16(4)21(17)23-20(25)15-27-22(26)18-11-13-19(14-12-18)24(6-2)7-3/h8-14H,5-7,15H2,1-4H3,(H,23,25)
InChIKeyVAMJJOHZKPUGMD-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.20
Rot. Bonds8

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate (PubChem CID 7665500) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate
PubChem CID7665500
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C22H28N2O3/c1-5-17-10-8-9-16(4)21(17)23-20(25)15-27-22(26)18-11-13-19(14-12-18)24(6-2)7-3/h8-14H,5-7,15H2,1-4H3,(H,23,25)
InChIKeyVAMJJOHZKPUGMD-UHFFFAOYSA-N
XLogP4.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2700968
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2636706
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519354
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413506
2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 109007808
ethyl 4-[[3-(2-ethyl-6-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954236
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(carbamoylamino)benzoate
CID 8803868
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate
CID 7768834
3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036621
[2-(3-bromoanilino)-2-oxoethyl] 4-(diethylamino)benzoate
CID 7666010
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2700958

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate (CID 7665500) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate is CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(N(CC)CC)cc1.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate?
The InChIKey is VAMJJOHZKPUGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-17-10-8-9-16(4)21(17)23-20(25)15-27-22(26)18-11-13-19(14-12-18)24(6-2)7-3/h8-14H,5-7,15H2,1-4H3,(H,23,25).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate has a molecular weight of 368.48 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate is sourced from PubChem (CID 7665500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).