1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide

C19H22N2O2 — CID 109043732

IUPAC1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-4-13-20-18(22)15-7-9-16(10-8-15)19(23)21-17-11-5-14(2)6-12-17/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVZFHZXAZFMDGOI-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.78
Rot. Bonds6

About 1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide

1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109043732) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID109043732
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-4-13-20-18(22)15-7-9-16(10-8-15)19(23)21-17-11-5-14(2)6-12-17/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVZFHZXAZFMDGOI-UHFFFAOYSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.78
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-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043760
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048766
1-N-butyl-4-N-(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043815
N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17195208
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide (CID 109043732) is 1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide is CCCCNC(=O)c1ccc(C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is VZFHZXAZFMDGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-4-13-20-18(22)15-7-9-16(10-8-15)19(23)21-17-11-5-14(2)6-12-17/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.78, 6 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-(4-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).