(E)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide

C18H21NO2 — CID 903258

IUPAC(E)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)15-9-6-14(7-10-15)8-11-17(20)19-13-16-5-4-12-21-16/h4-12H,13H2,1-3H3,(H,19,20)/b11-8+
InChIKeyFFOCOVUGHQKUOI-DHZHZOJOSA-N
MW283.37 g/mol
LogP3.91
Rot. Bonds4

About (E)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 903258) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID903258
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)15-9-6-14(7-10-15)8-11-17(20)19-13-16-5-4-12-21-16/h4-12H,13H2,1-3H3,(H,19,20)/b11-8+
InChIKeyFFOCOVUGHQKUOI-DHZHZOJOSA-N
XLogP3.91
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.91
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)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide (CID 903258) is (E)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide is CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccco2)cc1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is FFOCOVUGHQKUOI-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)15-9-6-14(7-10-15)8-11-17(20)19-13-16-5-4-12-21-16/h4-12H,13H2,1-3H3,(H,19,20)/b11-8+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 283.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 903258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).