[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate

C21H24N2O5 — CID 2611850

IUPAC[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1ccc(C)cc1O
InChIInChI=1S/C21H24N2O5/c1-4-15-7-5-6-8-17(15)22-19(25)12-23(3)20(26)13-28-21(27)16-10-9-14(2)11-18(16)24/h5-11,24H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyPKXJWAWHSWDXJD-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.52
Rot. Bonds7

About [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 2611850) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
PubChem CID2611850
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1ccc(C)cc1O
InChIInChI=1S/C21H24N2O5/c1-4-15-7-5-6-8-17(15)22-19(25)12-23(3)20(26)13-28-21(27)16-10-9-14(2)11-18(16)24/h5-11,24H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyPKXJWAWHSWDXJD-UHFFFAOYSA-N
XLogP2.52
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 2544303
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 8607609
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 8699567
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515762
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723665
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592276
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2682248
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8527229
[2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611608
[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611829
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate
CID 7844933
[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567601

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate (CID 2611850) is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate is CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1ccc(C)cc1O.
What is the InChIKey of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is PKXJWAWHSWDXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-4-15-7-5-6-8-17(15)22-19(25)12-23(3)20(26)13-28-21(27)16-10-9-14(2)11-18(16)24/h5-11,24H,4,12-13H2,1-3H3,(H,22,25).
What are the key properties of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate has a molecular weight of 384.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 2611850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).