2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid

C15H20N2O4 — CID 115923743

IUPAC2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid
SMILESCCN(CC)C(=O)CNC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-3-17(4-2)14(19)10-16-13(18)9-11-7-5-6-8-12(11)15(20)21/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyOHTUUERIUZTLEB-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.91
Rot. Bonds7

About 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid

2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid (PubChem CID 115923743) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid
PubChem CID115923743
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid
SMILESCCN(CC)C(=O)CNC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-3-17(4-2)14(19)10-16-13(18)9-11-7-5-6-8-12(11)15(20)21/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyOHTUUERIUZTLEB-UHFFFAOYSA-N
XLogP0.91
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)-2-oxoethyl]benzoic acid
CID 115923676
2-(2-bromophenyl)-N-[2-(diethylamino)-2-oxoethyl]acetamide
CID 112994741
2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
CID 113431494
2-[2-[2-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431503
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 104601328
2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid
CID 115923787
2-[2-(2-acetamidoethylamino)-2-oxoethyl]benzoic acid
CID 112568591
2-[2-(octylamino)-2-oxoethyl]benzoic acid
CID 104601721
N-[2-(dipropylamino)-2-oxoethyl]-2-phenylacetamide
CID 78784642
N,N-diethyl-2-[(2-methylphenyl)methylamino]acetamide
CID 60695385
2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431488
2-[2-[ethyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 120690659

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid (CID 115923743) is 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid is CCN(CC)C(=O)CNC(=O)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid?
The InChIKey is OHTUUERIUZTLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-17(4-2)14(19)10-16-13(18)9-11-7-5-6-8-12(11)15(20)21/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid?
2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 115923743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).