(2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide

C19H21NO — CID 101189502

IUPAC(2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide
SMILESCC/C(=C\c1ccccc1)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C19H21NO/c1-4-17(13-16-8-6-5-7-9-16)19(21)20-18-11-10-14(2)12-15(18)3/h5-13H,4H2,1-3H3,(H,20,21)/b17-13+
InChIKeyZLVNIHMGPSTPNH-GHRIWEEISA-N
MW279.38 g/mol
LogP4.74
Rot. Bonds4

About (2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide

(2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide (PubChem CID 101189502) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide.

Molecular Properties

Compound Name(2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide
PubChem CID101189502
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide
SMILESCC/C(=C\c1ccccc1)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C19H21NO/c1-4-17(13-16-8-6-5-7-9-16)19(21)20-18-11-10-14(2)12-15(18)3/h5-13H,4H2,1-3H3,(H,20,21)/b17-13+
InChIKeyZLVNIHMGPSTPNH-GHRIWEEISA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-benzylidene-N,N'-bis(2,4-dimethylphenyl)propanediamide
CID 7972340
2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide
CID 716250
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide
CID 7972356
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
(2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide
CID 110304578
(2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide
CID 110616979
(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373
N-(2,4-dimethylphenyl)-2-methylidenepentanamide
CID 141225698
1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea
CID 15137572
N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide
CID 40977221
N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
CID 108515457

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide?
The IUPAC name of (2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide (CID 101189502) is (2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide.
What is the SMILES notation for (2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide?
The canonical SMILES for (2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide is CC/C(=C\c1ccccc1)C(=O)Nc1ccc(C)cc1C.
What is the InChIKey of (2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide?
The InChIKey is ZLVNIHMGPSTPNH-GHRIWEEISA-N. The full InChI is InChI=1S/C19H21NO/c1-4-17(13-16-8-6-5-7-9-16)19(21)20-18-11-10-14(2)12-15(18)3/h5-13H,4H2,1-3H3,(H,20,21)/b17-13+.
What are the key properties of (2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide?
(2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide has a molecular weight of 279.38 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide is sourced from PubChem (CID 101189502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).