4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide

C21H26N2O2 — CID 109047835

IUPAC4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-4-16-23(2)21(25)19-12-10-18(11-13-19)20(24)22-15-14-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,22,24)
InChIKeyWZVHBYWYHASWEG-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.53
Rot. Bonds8

About 4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide

4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide (PubChem CID 109047835) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
PubChem CID109047835
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-4-16-23(2)21(25)19-12-10-18(11-13-19)20(24)22-15-14-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,22,24)
InChIKeyWZVHBYWYHASWEG-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
4-(butylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 109058705
4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047745
4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047373
2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111159958
5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109106596
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109043733
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide (CID 109047835) is 4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide is CCCCN(C)C(=O)c1ccc(C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide?
The InChIKey is WZVHBYWYHASWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-4-16-23(2)21(25)19-12-10-18(11-13-19)20(24)22-15-14-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,22,24).
What are the key properties of 4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide?
4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).