2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate

C19H23N3O3 — CID 163265483

IUPAC2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)n1cncc1C(C)c1cccc(C)c1C
InChIInChI=1S/C19H23N3O3/c1-5-18(23)25-10-9-21-19(24)22-12-20-11-17(22)15(4)16-8-6-7-13(2)14(16)3/h5-8,11-12,15H,1,9-10H2,2-4H3,(H,21,24)
InChIKeyLVYLPEDPQKDSFY-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.94
Rot. Bonds6

About 2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate

2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate (PubChem CID 163265483) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate
PubChem CID163265483
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)n1cncc1C(C)c1cccc(C)c1C
InChIInChI=1S/C19H23N3O3/c1-5-18(23)25-10-9-21-19(24)22-12-20-11-17(22)15(4)16-8-6-7-13(2)14(16)3/h5-8,11-12,15H,1,9-10H2,2-4H3,(H,21,24)
InChIKeyLVYLPEDPQKDSFY-UHFFFAOYSA-N
XLogP2.94
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate 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 2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate?
The IUPAC name of 2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate (CID 163265483) is 2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)n1cncc1C(C)c1cccc(C)c1C.
What is the InChIKey of 2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate?
The InChIKey is LVYLPEDPQKDSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-5-18(23)25-10-9-21-19(24)22-12-20-11-17(22)15(4)16-8-6-7-13(2)14(16)3/h5-8,11-12,15H,1,9-10H2,2-4H3,(H,21,24).
What are the key properties of 2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate?
2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate has a molecular weight of 341.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl prop-2-enoate is sourced from PubChem (CID 163265483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).