[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate

C19H21N3O5 — CID 9386285

IUPAC[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
SMILESCCc1ccccc1NC(=O)CNC(=O)COC(=O)c1cc(C(C)=O)c[nH]1
InChIInChI=1S/C19H21N3O5/c1-3-13-6-4-5-7-15(13)22-17(24)10-21-18(25)11-27-19(26)16-8-14(9-20-16)12(2)23/h4-9,20H,3,10-11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyOYOPFFOTFFLZSO-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.69
Rot. Bonds8

About [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate

[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate (PubChem CID 9386285) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
PubChem CID9386285
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
SMILESCCc1ccccc1NC(=O)CNC(=O)COC(=O)c1cc(C(C)=O)c[nH]1
InChIInChI=1S/C19H21N3O5/c1-3-13-6-4-5-7-15(13)22-17(24)10-21-18(25)11-27-19(26)16-8-14(9-20-16)12(2)23/h4-9,20H,3,10-11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyOYOPFFOTFFLZSO-UHFFFAOYSA-N
XLogP1.69
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385469
[2-(2-nitroanilino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385563
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387148
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197473
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8631928
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 9078999
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196552
[2-(3-acetamidoanilino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385635
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 9201594
[2-(naphthalen-2-ylamino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385425
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 8581015
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385448

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate?
The IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate (CID 9386285) is [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate is CCc1ccccc1NC(=O)CNC(=O)COC(=O)c1cc(C(C)=O)c[nH]1.
What is the InChIKey of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate?
The InChIKey is OYOPFFOTFFLZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-3-13-6-4-5-7-15(13)22-17(24)10-21-18(25)11-27-19(26)16-8-14(9-20-16)12(2)23/h4-9,20H,3,10-11H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate?
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 9386285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).