N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide

C28H30N2O2 — CID 7972356

IUPACN,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide
SMILESCCc1ccc(C=C(C(=O)Nc2ccc(C)cc2C)C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C28H30N2O2/c1-6-22-9-11-23(12-10-22)17-24(27(31)29-25-13-7-18(2)15-20(25)4)28(32)30-26-14-8-19(3)16-21(26)5/h7-17H,6H2,1-5H3,(H,29,31)(H,30,32)
InChIKeyVKTYFBVBAIHXTH-UHFFFAOYSA-N
MW426.56 g/mol
LogP6.14
Rot. Bonds6

About N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide

N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide (PubChem CID 7972356) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide.

Molecular Properties

Compound NameN,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide
PubChem CID7972356
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC NameN,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide
SMILESCCc1ccc(C=C(C(=O)Nc2ccc(C)cc2C)C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C28H30N2O2/c1-6-22-9-11-23(12-10-22)17-24(27(31)29-25-13-7-18(2)15-20(25)4)28(32)30-26-14-8-19(3)16-21(26)5/h7-17H,6H2,1-5H3,(H,29,31)(H,30,32)
InChIKeyVKTYFBVBAIHXTH-UHFFFAOYSA-N
XLogP6.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzylidene-N,N'-bis(2,4-dimethylphenyl)propanediamide
CID 7972340
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
(2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide
CID 101189502
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide
CID 7636771
2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide
CID 716250
N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099918
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)propanamide
CID 46757541
3-(N-acetyl-4-ethylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113125415
(2,4-diethylphenyl) N-(2,4-dimethylphenyl)carbamate
CID 141368036
(Z)-3-(4-chlorophenyl)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 2359124
N-(2,4-dimethylphenyl)-2-methylidenepentanamide
CID 141225698
1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972093

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide?
The IUPAC name of N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide (CID 7972356) is N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide.
What is the SMILES notation for N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide?
The canonical SMILES for N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide is CCc1ccc(C=C(C(=O)Nc2ccc(C)cc2C)C(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide?
The InChIKey is VKTYFBVBAIHXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-6-22-9-11-23(12-10-22)17-24(27(31)29-25-13-7-18(2)15-20(25)4)28(32)30-26-14-8-19(3)16-21(26)5/h7-17H,6H2,1-5H3,(H,29,31)(H,30,32).
What are the key properties of N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide?
N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide has a molecular weight of 426.56 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide is sourced from PubChem (CID 7972356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).