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

C19H22N2O2 — CID 109043733

IUPAC1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-4-14-20-18(22)15-10-12-16(13-11-15)19(23)21(2)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H,20,22)
InChIKeyWWLNBKGUGXEPFS-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.49
Rot. Bonds6

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

1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide (PubChem CID 109043733) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
PubChem CID109043733
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-4-14-20-18(22)15-10-12-16(13-11-15)19(23)21(2)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H,20,22)
InChIKeyWWLNBKGUGXEPFS-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54838526
N-butyl-4-phenylbenzamide
CID 3637649
N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
CID 54832356
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
3-butyl-1-methyl-1-phenylthiourea
CID 23446602
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046812
1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049117
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide (CID 109043733) is 1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide is CCCCNC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
The InChIKey is WWLNBKGUGXEPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-4-14-20-18(22)15-10-12-16(13-11-15)19(23)21(2)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H,20,22).
What are the key properties of 1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).