[2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate

C14H20N2O4 — CID 2518580

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
SMILESCOCCNC(=O)COC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H20N2O4/c1-16(2)12-6-4-5-11(9-12)14(18)20-10-13(17)15-7-8-19-3/h4-6,9H,7-8,10H2,1-3H3,(H,15,17)
InChIKeyKUYZZXGXOIHORI-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.67
Rot. Bonds7

About [2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate

[2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate (PubChem CID 2518580) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
PubChem CID2518580
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
SMILESCOCCNC(=O)COC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H20N2O4/c1-16(2)12-6-4-5-11(9-12)14(18)20-10-13(17)15-7-8-19-3/h4-6,9H,7-8,10H2,1-3H3,(H,15,17)
InChIKeyKUYZZXGXOIHORI-UHFFFAOYSA-N
XLogP0.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 9228812
[2-oxo-2-(pentylamino)ethyl] 3-(dimethylamino)benzoate
CID 9228871
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2518969
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(dimethylamino)benzoate
CID 7778581
[2-(benzylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2350078
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7260858
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2518674
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate
CID 9228838
2-[(3,4,5-trimethoxybenzoyl)amino]ethyl 3-(dimethylamino)benzoate
CID 2352182
phenacyl 3-(dimethylamino)benzoate
CID 624872
[2-(3,5-dichloroanilino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7261040
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 9228820

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate (CID 2518580) is [2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate is COCCNC(=O)COC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate?
The InChIKey is KUYZZXGXOIHORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-16(2)12-6-4-5-11(9-12)14(18)20-10-13(17)15-7-8-19-3/h4-6,9H,7-8,10H2,1-3H3,(H,15,17).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate?
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate has a molecular weight of 280.32 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate is sourced from PubChem (CID 2518580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).