1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide

C20H24N2O3 — CID 109048413

IUPAC1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-4-22(5-2)20(24)16-9-7-15(8-10-16)19(23)21-17-11-13-18(14-12-17)25-6-3/h7-14H,4-6H2,1-3H3,(H,21,23)
InChIKeyQRKFFLAUOFOWFS-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.82
Rot. Bonds7

About 1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide

1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide (PubChem CID 109048413) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
PubChem CID109048413
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-4-22(5-2)20(24)16-9-7-15(8-10-16)19(23)21-17-11-13-18(14-12-17)25-6-3/h7-14H,4-6H2,1-3H3,(H,21,23)
InChIKeyQRKFFLAUOFOWFS-UHFFFAOYSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 17196180
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54811099
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
4-N-(4-ethoxyphenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088955
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide (CID 109048413) is 1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide is CCOc1ccc(NC(=O)c2ccc(C(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of 1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The InChIKey is QRKFFLAUOFOWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-22(5-2)20(24)16-9-7-15(8-10-16)19(23)21-17-11-13-18(14-12-17)25-6-3/h7-14H,4-6H2,1-3H3,(H,21,23).
What are the key properties of 1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109048413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).