[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate

C21H23N3O6 — CID 7807711

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C21H23N3O6/c1-3-29-18-10-5-4-9-17(18)21(28)22-12-20(27)30-13-19(26)24-16-8-6-7-15(11-16)23-14(2)25/h4-11H,3,12-13H2,1-2H3,(H,22,28)(H,23,25)(H,24,26)
InChIKeyCQJCVKJOWYHMML-UHFFFAOYSA-N
MW413.43 g/mol
LogP1.96
Rot. Bonds9

About [2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate

[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 7807711) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID7807711
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C21H23N3O6/c1-3-29-18-10-5-4-9-17(18)21(28)22-12-20(27)30-13-19(26)24-16-8-6-7-15(11-16)23-14(2)25/h4-11H,3,12-13H2,1-2H3,(H,22,28)(H,23,25)(H,24,26)
InChIKeyCQJCVKJOWYHMML-UHFFFAOYSA-N
XLogP1.96
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2548139
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662107
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807837
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807853
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 8024516
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547953
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547924
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547921
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807753
2-ethoxy-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 46510511
[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8607199

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate (CID 7807711) is [2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is CQJCVKJOWYHMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-3-29-18-10-5-4-9-17(18)21(28)22-12-20(27)30-13-19(26)24-16-8-6-7-15(11-16)23-14(2)25/h4-11H,3,12-13H2,1-2H3,(H,22,28)(H,23,25)(H,24,26).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 413.43 g/mol, XLogP of 1.96, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7807711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).