(E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide

C17H17NO — CID 924452

IUPAC(E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2ccccc2)c1C
InChIInChI=1S/C17H17NO/c1-13-7-6-10-16(14(13)2)18-17(19)12-11-15-8-4-3-5-9-15/h3-12H,1-2H3,(H,18,19)/b12-11+
InChIKeyRQHNIXYBYDVNBQ-VAWYXSNFSA-N
MW251.33 g/mol
LogP3.96
Rot. Bonds3

About (E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide

(E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide (PubChem CID 924452) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide
PubChem CID924452
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2ccccc2)c1C
InChIInChI=1S/C17H17NO/c1-13-7-6-10-16(14(13)2)18-17(19)12-11-15-8-4-3-5-9-15/h3-12H,1-2H3,(H,18,19)/b12-11+
InChIKeyRQHNIXYBYDVNBQ-VAWYXSNFSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.96
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide (CID 924452) is (E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide is Cc1cccc(NC(=O)/C=C/c2ccccc2)c1C.
What is the InChIKey of (E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide?
The InChIKey is RQHNIXYBYDVNBQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-7-6-10-16(14(13)2)18-17(19)12-11-15-8-4-3-5-9-15/h3-12H,1-2H3,(H,18,19)/b12-11+.
What are the key properties of (E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide?
(E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide has a molecular weight of 251.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 924452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).