(E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide

C20H22N2O2 — CID 108762807

IUPAC(E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide
SMILESCc1oc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C#N)c1C
InChIInChI=1S/C20H22N2O2/c1-13-14(2)24-19(17(13)12-21)22-18(23)11-8-15-6-9-16(10-7-15)20(3,4)5/h6-11H,1-5H3,(H,22,23)/b11-8+
InChIKeyJORAETOJTXMNQI-DHZHZOJOSA-N
MW322.41 g/mol
LogP4.72
Rot. Bonds3

About (E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide (PubChem CID 108762807) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide
PubChem CID108762807
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide
SMILESCc1oc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C#N)c1C
InChIInChI=1S/C20H22N2O2/c1-13-14(2)24-19(17(13)12-21)22-18(23)11-8-15-6-9-16(10-7-15)20(3,4)5/h6-11H,1-5H3,(H,22,23)/b11-8+
InChIKeyJORAETOJTXMNQI-DHZHZOJOSA-N
XLogP4.72
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-cyano-2-methyl-5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]furan-3-carboxylate
CID 108757311
methyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
CID 1022810
(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 108740273
(E)-3-(3-bromo-4,5-dimethoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide
CID 108762822
(E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 17164885
(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 108762986
N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide
CID 108762728
(Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 108762975
(E)-3-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 896549
(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 108763032
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
(E)-N-(4-tert-butylphenyl)-3-(4-methylsulfonylphenyl)prop-2-enamide
CID 6139845

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide (CID 108762807) is (E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide is Cc1oc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C#N)c1C.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide?
The InChIKey is JORAETOJTXMNQI-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-14(2)24-19(17(13)12-21)22-18(23)11-8-15-6-9-16(10-7-15)20(3,4)5/h6-11H,1-5H3,(H,22,23)/b11-8+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide has a molecular weight of 322.41 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 108762807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).