ethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate

C13H18N2O3 — CID 583524

IUPACethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(=O)N(C)C
InChIInChI=1S/C13H18N2O3/c1-4-18-13(17)10-7-5-6-8-11(10)14-9-12(16)15(2)3/h5-8,14H,4,9H2,1-3H3
InChIKeyCKKMWDPVJNLZMV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.36
Rot. Bonds5

About ethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate

ethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate (PubChem CID 583524) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate
PubChem CID583524
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(=O)N(C)C
InChIInChI=1S/C13H18N2O3/c1-4-18-13(17)10-7-5-6-8-11(10)14-9-12(16)15(2)3/h5-8,14H,4,9H2,1-3H3
InChIKeyCKKMWDPVJNLZMV-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate (CID 583524) is ethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate is CCOC(=O)c1ccccc1NCC(=O)N(C)C.
What is the InChIKey of ethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate?
The InChIKey is CKKMWDPVJNLZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-18-13(17)10-7-5-6-8-11(10)14-9-12(16)15(2)3/h5-8,14H,4,9H2,1-3H3.
What are the key properties of ethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate?
ethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate has a molecular weight of 250.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 583524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).