[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate

C23H27N3O4 — CID 25295473

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CCn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C23H27N3O4/c1-4-17-10-8-9-16(3)22(17)24-20(27)15-30-21(28)13-14-26-19-12-7-6-11-18(19)25(5-2)23(26)29/h6-12H,4-5,13-15H2,1-3H3,(H,24,27)
InChIKeyMPQDPJZXKDEEFW-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.27
Rot. Bonds8

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate (PubChem CID 25295473) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
PubChem CID25295473
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CCn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C23H27N3O4/c1-4-17-10-8-9-16(3)22(17)24-20(27)15-30-21(28)13-14-26-19-12-7-6-11-18(19)25(5-2)23(26)29/h6-12H,4-5,13-15H2,1-3H3,(H,24,27)
InChIKeyMPQDPJZXKDEEFW-UHFFFAOYSA-N
XLogP3.27
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33357986
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
CID 25296484
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703265
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842165
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767828
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenoxy)acetate
CID 2467910
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7906706
[2-(2-ethylanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727943
[2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate
CID 42316342
benzyl 4-(2-ethyl-6-methylanilino)-4-oxobutanoate
CID 924791

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate (CID 25295473) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate is CCc1cccc(C)c1NC(=O)COC(=O)CCn1c(=O)n(CC)c2ccccc21.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate?
The InChIKey is MPQDPJZXKDEEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-4-17-10-8-9-16(3)22(17)24-20(27)15-30-21(28)13-14-26-19-12-7-6-11-18(19)25(5-2)23(26)29/h6-12H,4-5,13-15H2,1-3H3,(H,24,27).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate has a molecular weight of 409.49 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate is sourced from PubChem (CID 25295473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).