[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate

C20H22N2O5 — CID 18128442

IUPAC[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
SMILESCCN(C(=O)COC(=O)c1ccc(OCC(N)=O)cc1)c1ccccc1C
InChIInChI=1S/C20H22N2O5/c1-3-22(17-7-5-4-6-14(17)2)19(24)13-27-20(25)15-8-10-16(11-9-15)26-12-18(21)23/h4-11H,3,12-13H2,1-2H3,(H2,21,23)
InChIKeyOMDKRFOTMMBBAQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.07
Rot. Bonds8

About [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate

[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate (PubChem CID 18128442) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
PubChem CID18128442
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
SMILESCCN(C(=O)COC(=O)c1ccc(OCC(N)=O)cc1)c1ccccc1C
InChIInChI=1S/C20H22N2O5/c1-3-22(17-7-5-4-6-14(17)2)19(24)13-27-20(25)15-8-10-16(11-9-15)26-12-18(21)23/h4-11H,3,12-13H2,1-2H3,(H2,21,23)
InChIKeyOMDKRFOTMMBBAQ-UHFFFAOYSA-N
XLogP2.07
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanophenoxy)-N-ethyl-N-(2-methylphenyl)acetamide
CID 24690300
[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 3-cyanobenzoate
CID 18127905
[2-(2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678252
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678279
2-(4-ethoxyphenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 86922113
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2405012
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678967
N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 78847364
[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 55307289
3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 24568550
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?
The IUPAC name of [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate (CID 18128442) is [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate.
What is the SMILES notation for [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?
The canonical SMILES for [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate is CCN(C(=O)COC(=O)c1ccc(OCC(N)=O)cc1)c1ccccc1C.
What is the InChIKey of [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?
The InChIKey is OMDKRFOTMMBBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-22(17-7-5-4-6-14(17)2)19(24)13-27-20(25)15-8-10-16(11-9-15)26-12-18(21)23/h4-11H,3,12-13H2,1-2H3,(H2,21,23).
What are the key properties of [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?
[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 370.41 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 18128442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).