N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide

C21H24N4O4 — CID 17368155

IUPACN,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H24N4O4/c1-24(2)20(28)14-5-9-16(10-6-14)22-18(26)13-19(27)23-17-11-7-15(8-12-17)21(29)25(3)4/h5-12H,13H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyVRIKXEBVDSXIQH-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.06
Rot. Bonds6

About N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide

N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide (PubChem CID 17368155) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
PubChem CID17368155
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H24N4O4/c1-24(2)20(28)14-5-9-16(10-6-14)22-18(26)13-19(27)23-17-11-7-15(8-12-17)21(29)25(3)4/h5-12H,13H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyVRIKXEBVDSXIQH-UHFFFAOYSA-N
XLogP2.06
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-(3-methylbutanoylamino)benzamide
CID 38105549
4-(4-hydroxypentanoylamino)-N,N-dimethylbenzamide
CID 79191364
4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide
CID 54815422
N,N-dimethyl-4-(octanoylamino)benzamide
CID 17231205
4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 8698667
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782647
4-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8895842
4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
CID 17309176
N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815122
N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide
CID 9302751
N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide
CID 96538513
4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 79474171

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide?
The IUPAC name of N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide (CID 17368155) is N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide.
What is the SMILES notation for N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide?
The canonical SMILES for N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide is CN(C)C(=O)c1ccc(NC(=O)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide?
The InChIKey is VRIKXEBVDSXIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-24(2)20(28)14-5-9-16(10-6-14)22-18(26)13-19(27)23-17-11-7-15(8-12-17)21(29)25(3)4/h5-12H,13H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide?
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide has a molecular weight of 396.45 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide is sourced from PubChem (CID 17368155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).