1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide

C21H26N2O2 — CID 109048818

IUPAC1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-4-6-16-22(3)20(24)17-12-14-18(15-13-17)21(25)23(5-2)19-10-8-7-9-11-19/h7-15H,4-6,16H2,1-3H3
InChIKeyMHVYQXIFCJKJGH-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.23
Rot. Bonds7

About 1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide

1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide (PubChem CID 109048818) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
PubChem CID109048818
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-4-6-16-22(3)20(24)17-12-14-18(15-13-17)21(25)23(5-2)19-10-8-7-9-11-19/h7-15H,4-6,16H2,1-3H3
InChIKeyMHVYQXIFCJKJGH-UHFFFAOYSA-N
XLogP4.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109056371
3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107334
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264001
N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 8839615
4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047835
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047506
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide
CID 43333185

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide (CID 109048818) is 1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide is CCCCN(C)C(=O)c1ccc(C(=O)N(CC)c2ccccc2)cc1.
What is the InChIKey of 1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
The InChIKey is MHVYQXIFCJKJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-6-16-22(3)20(24)17-12-14-18(15-13-17)21(25)23(5-2)19-10-8-7-9-11-19/h7-15H,4-6,16H2,1-3H3.
What are the key properties of 1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109048818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).