3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide

C20H24N2O4 — CID 109052772

IUPAC3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)NCCCOC)c2)cc1
InChIInChI=1S/C20H24N2O4/c1-3-26-18-10-8-17(9-11-18)22-20(24)16-7-4-6-15(14-16)19(23)21-12-5-13-25-2/h4,6-11,14H,3,5,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLBJWTGNMJSIGMZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.10
Rot. Bonds9

About 3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide

3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide (PubChem CID 109052772) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
PubChem CID109052772
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)NCCCOC)c2)cc1
InChIInChI=1S/C20H24N2O4/c1-3-26-18-10-8-17(9-11-18)22-20(24)16-7-4-6-15(14-16)19(23)21-12-5-13-25-2/h4,6-11,14H,3,5,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLBJWTGNMJSIGMZ-UHFFFAOYSA-N
XLogP3.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-ethoxybenzoyl)amino]-N-(3-methoxypropyl)benzamide
CID 26160199
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide
CID 17205121
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187
3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 54790791
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160383
1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050601
N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943357
3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057223
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842538
3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17219011

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide (CID 109052772) is 3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide is CCOc1ccc(NC(=O)c2cccc(C(=O)NCCCOC)c2)cc1.
What is the InChIKey of 3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide?
The InChIKey is LBJWTGNMJSIGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-26-18-10-8-17(9-11-18)22-20(24)16-7-4-6-15(14-16)19(23)21-12-5-13-25-2/h4,6-11,14H,3,5,12-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide?
3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).