2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid

C20H22N2O7 — CID 68765513

IUPAC2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid
SMILESCCOc1c(C(N)=O)cccc1C(=O)Nc1ccccc1CC.O=C(O)C(=O)O
InChIInChI=1S/C18H20N2O3.C2H2O4/c1-3-12-8-5-6-11-15(12)20-18(22)14-10-7-9-13(17(19)21)16(14)23-4-2;3-1(4)2(5)6/h5-11H,3-4H2,1-2H3,(H2,19,21)(H,20,22);(H,3,4)(H,5,6)
InChIKeyOWCOQIJELNKBBK-UHFFFAOYSA-N
MW402.40 g/mol
LogP2.15
Rot. Bonds6

About 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid

2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid (PubChem CID 68765513) has the molecular formula C20H22N2O7 and a molecular weight of 402.40 g/mol. Its IUPAC name is 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid.

Molecular Properties

Compound Name2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid
PubChem CID68765513
Molecular FormulaC20H22N2O7
Molecular Weight402.40 g/mol
Exact Mass402.14
IUPAC Name2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid
SMILESCCOc1c(C(N)=O)cccc1C(=O)Nc1ccccc1CC.O=C(O)C(=O)O
InChIInChI=1S/C18H20N2O3.C2H2O4/c1-3-12-8-5-6-11-15(12)20-18(22)14-10-7-9-13(17(19)21)16(14)23-4-2;3-1(4)2(5)6/h5-11H,3-4H2,1-2H3,(H2,19,21)(H,20,22);(H,3,4)(H,5,6)
InChIKeyOWCOQIJELNKBBK-UHFFFAOYSA-N
XLogP2.15
TPSA156.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 68765514
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
4-carbamothioyl-N-(2-ethylphenyl)benzamide
CID 24701892
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811
N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23877086
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
CID 5217703
2-amino-3-(2-ethylanilino)benzamide
CID 113332482
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid?
The IUPAC name of 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid (CID 68765513) is 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid.
What is the SMILES notation for 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid?
The canonical SMILES for 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid is CCOc1c(C(N)=O)cccc1C(=O)Nc1ccccc1CC.O=C(O)C(=O)O.
What is the InChIKey of 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid?
The InChIKey is OWCOQIJELNKBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3.C2H2O4/c1-3-12-8-5-6-11-15(12)20-18(22)14-10-7-9-13(17(19)21)16(14)23-4-2;3-1(4)2(5)6/h5-11H,3-4H2,1-2H3,(H2,19,21)(H,20,22);(H,3,4)(H,5,6).
What are the key properties of 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid?
2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid has a molecular weight of 402.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid is sourced from PubChem (CID 68765513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).