4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide

C22H29N3O2 — CID 109045787

IUPAC4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(C(=O)NCCN(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-5-16-8-7-9-17(6-2)20(16)24-22(27)19-12-10-18(11-13-19)21(26)23-14-15-25(3)4/h7-13H,5-6,14-15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyXJRJIMLQEFOCKJ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.36
Rot. Bonds8

About 4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide

4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide (PubChem CID 109045787) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
PubChem CID109045787
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(C(=O)NCCN(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-5-16-8-7-9-17(6-2)20(16)24-22(27)19-12-10-18(11-13-19)21(26)23-14-15-25(3)4/h7-13H,5-6,14-15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyXJRJIMLQEFOCKJ-UHFFFAOYSA-N
XLogP3.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045164
3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide
CID 109104102
5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104332
1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046007
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710
1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133726
2-(2,6-diethylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994657
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043170
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109045824
4-cyano-N-(2,6-diethylphenyl)benzamide
CID 2592061

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide (CID 109045787) is 4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide is CCc1cccc(CC)c1NC(=O)c1ccc(C(=O)NCCN(C)C)cc1.
What is the InChIKey of 4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is XJRJIMLQEFOCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-16-8-7-9-17(6-2)20(16)24-22(27)19-12-10-18(11-13-19)21(26)23-14-15-25(3)4/h7-13H,5-6,14-15H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of 4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide?
4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.36, 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-(dimethylamino)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).