1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide

C21H26N2O2 — CID 109043746

IUPAC1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-4-5-14-22-20(24)16-10-12-17(13-11-16)21(25)23-19-9-7-6-8-18(19)15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyACXVLQWVYVKVJG-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.59
Rot. Bonds7

About 1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide

1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109043746) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
PubChem CID109043746
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-4-5-14-22-20(24)16-10-12-17(13-11-16)21(25)23-19-9-7-6-8-18(19)15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyACXVLQWVYVKVJG-UHFFFAOYSA-N
XLogP4.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042975
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056283
1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109045330
2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109079471
N-(2-propan-2-ylphenyl)benzamide
CID 723391
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109047196
N-(2-propan-2-ylphenyl)-4-propoxybenzamide
CID 6463952
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109043741
4-(methylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 62185459
3-N-butyl-1-N-(2-propan-2-ylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067327

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide (CID 109043746) is 1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide is CCCCNC(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of 1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is ACXVLQWVYVKVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-5-14-22-20(24)16-10-12-17(13-11-16)21(25)23-19-9-7-6-8-18(19)15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).