(E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C16H17NO2 — CID 712923

IUPAC(E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(C)o2)c(C)c1
InChIInChI=1S/C16H17NO2/c1-11-4-8-15(12(2)10-11)17-16(18)9-7-14-6-5-13(3)19-14/h4-10H,1-3H3,(H,17,18)/b9-7+
InChIKeyZOSSKUCLDCBEQH-VQHVLOKHSA-N
MW255.32 g/mol
LogP3.86
Rot. Bonds3

About (E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 712923) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID712923
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(C)o2)c(C)c1
InChIInChI=1S/C16H17NO2/c1-11-4-8-15(12(2)10-11)17-16(18)9-7-14-6-5-13(3)19-14/h4-10H,1-3H3,(H,17,18)/b9-7+
InChIKeyZOSSKUCLDCBEQH-VQHVLOKHSA-N
XLogP3.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 712923) is (E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2ccc(C)o2)c(C)c1.
What is the InChIKey of (E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is ZOSSKUCLDCBEQH-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-4-8-15(12(2)10-11)17-16(18)9-7-14-6-5-13(3)19-14/h4-10H,1-3H3,(H,17,18)/b9-7+.
What are the key properties of (E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 712923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).