[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate

C22H25N3O5 — CID 27601619

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
SMILESCCCn1c(=O)n(CC(=O)OCC(=O)Nc2ccccc2OCC)c2ccccc21
InChIInChI=1S/C22H25N3O5/c1-3-13-24-17-10-6-7-11-18(17)25(22(24)28)14-21(27)30-15-20(26)23-16-9-5-8-12-19(16)29-4-2/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyBDTFBIFVBHYFOX-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.79
Rot. Bonds9

About [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate (PubChem CID 27601619) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
PubChem CID27601619
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
SMILESCCCn1c(=O)n(CC(=O)OCC(=O)Nc2ccccc2OCC)c2ccccc21
InChIInChI=1S/C22H25N3O5/c1-3-13-24-17-10-6-7-11-18(17)25(22(24)28)14-21(27)30-15-20(26)23-16-9-5-8-12-19(16)29-4-2/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyBDTFBIFVBHYFOX-UHFFFAOYSA-N
XLogP2.79
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632745
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 98641122
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793913
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 18268883
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317763
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide
CID 16597390
[2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2617314
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140411
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
CID 46645811
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997830
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328128
[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 30252486

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate (CID 27601619) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate is CCCn1c(=O)n(CC(=O)OCC(=O)Nc2ccccc2OCC)c2ccccc21.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
The InChIKey is BDTFBIFVBHYFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-3-13-24-17-10-6-7-11-18(17)25(22(24)28)14-21(27)30-15-20(26)23-16-9-5-8-12-19(16)29-4-2/h5-12H,3-4,13-15H2,1-2H3,(H,23,26).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate has a molecular weight of 411.46 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 27601619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).