2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide

C26H27N3O2 — CID 8726729

IUPAC2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)C(=Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1C
InChIInChI=1S/C26H27N3O2/c1-18-9-5-7-11-23(18)27-25(30)22(17-20-13-15-21(16-14-20)29(3)4)26(31)28-24-12-8-6-10-19(24)2/h5-17H,1-4H3,(H,27,30)(H,28,31)
InChIKeyPZJJFXORKNKWHZ-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.03
Rot. Bonds6

About 2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide

2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide (PubChem CID 8726729) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide
PubChem CID8726729
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)C(=Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1C
InChIInChI=1S/C26H27N3O2/c1-18-9-5-7-11-23(18)27-25(30)22(17-20-13-15-21(16-14-20)29(3)4)26(31)28-24-12-8-6-10-19(24)2/h5-17H,1-4H3,(H,27,30)(H,28,31)
InChIKeyPZJJFXORKNKWHZ-UHFFFAOYSA-N
XLogP5.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide
CID 9446874
2-benzylidene-N,N'-bis(2,4-dimethylphenyl)propanediamide
CID 7972340
N,N'-bis(2-methylphenyl)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide
CID 55769173
N,N'-bis(2-methylphenyl)-2-[(5-methylthiophen-2-yl)methylidene]propanediamide
CID 9446875
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
3-[5-[[4-(dimethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)propanamide
CID 4728904
3-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)propanamide
CID 6198753
1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056881
N-[(Z)-1-[4-(dimethylamino)phenyl]-3-[4-[1-(2-methylanilino)-1-oxopropan-2-yl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 21386250
1-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3-(2-methylphenyl)urea
CID 97106061
4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6147985
dimethyl 2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methylidene]propanedioate
CID 102189234

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide (CID 8726729) is 2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide is Cc1ccccc1NC(=O)C(=Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1C.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide?
The InChIKey is PZJJFXORKNKWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18-9-5-7-11-23(18)27-25(30)22(17-20-13-15-21(16-14-20)29(3)4)26(31)28-24-12-8-6-10-19(24)2/h5-17H,1-4H3,(H,27,30)(H,28,31).
What are the key properties of 2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide?
2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide has a molecular weight of 413.52 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide is sourced from PubChem (CID 8726729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).