(E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide

C19H21NO — CID 138965403

IUPAC(E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide
SMILESCCC(/C=C/c1ccc(C)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H21NO/c1-3-17(14-13-16-11-9-15(2)10-12-16)19(21)20-18-7-5-4-6-8-18/h4-14,17H,3H2,1-2H3,(H,20,21)/b14-13+
InChIKeyHXQMHYAKDRRETL-BUHFOSPRSA-N
MW279.38 g/mol
LogP4.67
Rot. Bonds5

About (E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide

(E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide (PubChem CID 138965403) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide
PubChem CID138965403
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide
SMILESCCC(/C=C/c1ccc(C)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H21NO/c1-3-17(14-13-16-11-9-15(2)10-12-16)19(21)20-18-7-5-4-6-8-18/h4-14,17H,3H2,1-2H3,(H,20,21)/b14-13+
InChIKeyHXQMHYAKDRRETL-BUHFOSPRSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-4-(4-phenylphenyl)but-3-enoic acid
CID 70478467
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
(2-anilino-2-oxoethyl) 3-(4-methylphenyl)prop-2-enoate
CID 725024
(E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide
CID 11954690
(E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine
CID 10809475
N,2-bis(4-methylphenyl)butanamide
CID 2750915
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
ethyl 4-anilino-3-methyl-4-oxobutanoate
CID 10633516
2-bromo-N-(4-methylphenyl)-3-phenylpropanamide
CID 43845154
4-anilino-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid
CID 2853882

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide?
The IUPAC name of (E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide (CID 138965403) is (E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide.
What is the SMILES notation for (E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide?
The canonical SMILES for (E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide is CCC(/C=C/c1ccc(C)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of (E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide?
The InChIKey is HXQMHYAKDRRETL-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-17(14-13-16-11-9-15(2)10-12-16)19(21)20-18-7-5-4-6-8-18/h4-14,17H,3H2,1-2H3,(H,20,21)/b14-13+.
What are the key properties of (E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide?
(E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide has a molecular weight of 279.38 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide is sourced from PubChem (CID 138965403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).