[2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate

C13H19N3O3 — CID 61323136

IUPAC[2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate
SMILESCCNC(=O)COC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C13H19N3O3/c1-4-15-12(17)8-19-13(18)9-5-6-11(16(2)3)10(14)7-9/h5-7H,4,8,14H2,1-3H3,(H,15,17)
InChIKeySCUGPDXFTKNMRJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.63
Rot. Bonds5

About [2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate

[2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate (PubChem CID 61323136) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate
PubChem CID61323136
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate
SMILESCCNC(=O)COC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C13H19N3O3/c1-4-15-12(17)8-19-13(18)9-5-6-11(16(2)3)10(14)7-9/h5-7H,4,8,14H2,1-3H3,(H,15,17)
InChIKeySCUGPDXFTKNMRJ-UHFFFAOYSA-N
XLogP0.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(carbamoylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate
CID 61322567
[2-(2-cyanoethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate
CID 61321239
2-propoxyethyl 3-amino-4-(dimethylamino)benzoate
CID 63685987
2-ethoxyethyl 3-amino-4-(dimethylamino)benzoate
CID 61308490
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289524
2-methylpropyl 3-amino-4-(dimethylamino)benzoate
CID 61310435
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228962
(2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate
CID 61323137
[4-(methylamino)-4-oxobutyl] 3-amino-4-(dimethylamino)benzoate
CID 63892536
(4-bromophenyl)methyl 3-amino-4-(dimethylamino)benzoate
CID 61320857
3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide
CID 82999693
3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate (CID 61323136) is [2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate is CCNC(=O)COC(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate?
The InChIKey is SCUGPDXFTKNMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-15-12(17)8-19-13(18)9-5-6-11(16(2)3)10(14)7-9/h5-7H,4,8,14H2,1-3H3,(H,15,17).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate?
[2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate has a molecular weight of 265.31 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate is sourced from PubChem (CID 61323136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).