(E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide

C16H25N3O2 — CID 123817945

IUPAC(E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide
SMILESC=CCCNC(=O)/C(=C/C)c1[nH]c(=O)n(C(C)C)c1CC
InChIInChI=1S/C16H25N3O2/c1-6-9-10-17-15(20)12(7-2)14-13(8-3)19(11(4)5)16(21)18-14/h6-7,11H,1,8-10H2,2-5H3,(H,17,20)(H,18,21)/b12-7+
InChIKeyGUPHWHFFESUDRS-KPKJPENVSA-N
MW291.40 g/mol
LogP2.42
Rot. Bonds7

About (E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide

(E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide (PubChem CID 123817945) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide
PubChem CID123817945
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide
SMILESC=CCCNC(=O)/C(=C/C)c1[nH]c(=O)n(C(C)C)c1CC
InChIInChI=1S/C16H25N3O2/c1-6-9-10-17-15(20)12(7-2)14-13(8-3)19(11(4)5)16(21)18-14/h6-7,11H,1,8-10H2,2-5H3,(H,17,20)(H,18,21)/b12-7+
InChIKeyGUPHWHFFESUDRS-KPKJPENVSA-N
XLogP2.42
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-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

Frequently Asked Questions

What is the IUPAC name of (E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide?
The IUPAC name of (E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide (CID 123817945) is (E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide.
What is the SMILES notation for (E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide?
The canonical SMILES for (E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide is C=CCCNC(=O)/C(=C/C)c1[nH]c(=O)n(C(C)C)c1CC.
What is the InChIKey of (E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide?
The InChIKey is GUPHWHFFESUDRS-KPKJPENVSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-6-9-10-17-15(20)12(7-2)14-13(8-3)19(11(4)5)16(21)18-14/h6-7,11H,1,8-10H2,2-5H3,(H,17,20)(H,18,21)/b12-7+.
What are the key properties of (E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide?
(E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide has a molecular weight of 291.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-but-3-enyl-2-(4-ethyl-2-oxo-3-propan-2-yl-1H-imidazol-5-yl)but-2-enamide is sourced from PubChem (CID 123817945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).