4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide

C21H26N2O3 — CID 109045164

IUPAC4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(C(=O)NCCOC)cc1
InChIInChI=1S/C21H26N2O3/c1-4-15-7-6-8-16(5-2)19(15)23-21(25)18-11-9-17(10-12-18)20(24)22-13-14-26-3/h6-12H,4-5,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyMAWOPPCYKBWQLO-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.44
Rot. Bonds8

About 4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide

4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide (PubChem CID 109045164) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
PubChem CID109045164
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(C(=O)NCCOC)cc1
InChIInChI=1S/C21H26N2O3/c1-4-15-7-6-8-16(5-2)19(15)23-21(25)18-11-9-17(10-12-18)20(24)22-13-14-26-3/h6-12H,4-5,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyMAWOPPCYKBWQLO-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045787
1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043170
N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251583
1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132998
2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082568
N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyridine-4-carboxamide
CID 109166921
3-(2,6-diethylanilino)-N-(2-methoxyethyl)propanamide
CID 109015061
5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103645
4-cyano-N-(2,6-diethylphenyl)benzamide
CID 2592061
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046593

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide (CID 109045164) is 4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide is CCc1cccc(CC)c1NC(=O)c1ccc(C(=O)NCCOC)cc1.
What is the InChIKey of 4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The InChIKey is MAWOPPCYKBWQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-15-7-6-8-16(5-2)19(15)23-21(25)18-11-9-17(10-12-18)20(24)22-13-14-26-3/h6-12H,4-5,13-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).