1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide

C21H26N2O2 — CID 109043170

IUPAC1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-5-15-8-7-9-16(6-2)19(15)23-21(25)18-12-10-17(11-13-18)20(24)22-14(3)4/h7-14H,5-6H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyJSQGXLDNKALOOF-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.20
Rot. Bonds6

About 1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide

1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide (PubChem CID 109043170) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
PubChem CID109043170
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-5-15-8-7-9-16(6-2)19(15)23-21(25)18-12-10-17(11-13-18)20(24)22-14(3)4/h7-14H,5-6H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyJSQGXLDNKALOOF-UHFFFAOYSA-N
XLogP4.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-ethyl-6-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101431
ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543069
4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045164
4-cyano-N-(2,6-diethylphenyl)benzamide
CID 2592061
propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543070
N-(2,6-diethylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044646
4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045787
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide
CID 103956619
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide
CID 109051527
4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045638

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide (CID 109043170) is 1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide is CCc1cccc(CC)c1NC(=O)c1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The InChIKey is JSQGXLDNKALOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-15-8-7-9-16(6-2)19(15)23-21(25)18-12-10-17(11-13-18)20(24)22-14(3)4/h7-14H,5-6H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).