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

C18H20N2O3 — CID 68765514

IUPAC2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
SMILESCCOc1c(C(N)=O)cccc1C(=O)Nc1ccccc1CC
InChIInChI=1S/C18H20N2O3/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/h5-11H,3-4H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyWGFTWEFQQIGDHJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.00
Rot. Bonds6

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

2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide (PubChem CID 68765514) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
PubChem CID68765514
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
SMILESCCOc1c(C(N)=O)cccc1C(=O)Nc1ccccc1CC
InChIInChI=1S/C18H20N2O3/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/h5-11H,3-4H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyWGFTWEFQQIGDHJ-UHFFFAOYSA-N
XLogP3.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid
CID 68765513
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?
The IUPAC name of 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide (CID 68765514) is 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide is CCOc1c(C(N)=O)cccc1C(=O)Nc1ccccc1CC.
What is the InChIKey of 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is WGFTWEFQQIGDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/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/h5-11H,3-4H2,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide?
2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 68765514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).