N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide

C20H23NO — CID 4119628

IUPACN-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide
SMILESCCC(C)c1ccc(NC(=O)C(C)=Cc2ccccc2)cc1
InChIInChI=1S/C20H23NO/c1-4-15(2)18-10-12-19(13-11-18)21-20(22)16(3)14-17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H,21,22)
InChIKeyBXRWOUSKAQMYDD-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.24
Rot. Bonds5

About N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide

N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide (PubChem CID 4119628) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide
PubChem CID4119628
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide
SMILESCCC(C)c1ccc(NC(=O)C(C)=Cc2ccccc2)cc1
InChIInChI=1S/C20H23NO/c1-4-15(2)18-10-12-19(13-11-18)21-20(22)16(3)14-17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H,21,22)
InChIKeyBXRWOUSKAQMYDD-UHFFFAOYSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.24
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

(E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide
CID 9446969
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4053661
4-(4-butan-2-ylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993029
methyl 4-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzoate
CID 2188759
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
(Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1314273
N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4617041
(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide
CID 889416
(E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide
CID 6140397
2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
CID 43702131
(2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
CID 104897241

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide (CID 4119628) is N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide is CCC(C)c1ccc(NC(=O)C(C)=Cc2ccccc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide?
The InChIKey is BXRWOUSKAQMYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-4-15(2)18-10-12-19(13-11-18)21-20(22)16(3)14-17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H,21,22).
What are the key properties of N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide?
N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide has a molecular weight of 293.41 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 4119628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).