ethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate

C15H17N3O3 — CID 6625295

IUPACethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-3-21-15(20)14-16-9-10-18(14)11-13(19)17(2)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3
InChIKeyPSCLZMQKZGVPGG-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.72
Rot. Bonds5

About ethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate

ethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate (PubChem CID 6625295) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate
PubChem CID6625295
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-3-21-15(20)14-16-9-10-18(14)11-13(19)17(2)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3
InChIKeyPSCLZMQKZGVPGG-UHFFFAOYSA-N
XLogP1.72
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate 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 ethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate?
The IUPAC name of ethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate (CID 6625295) is ethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate is CCOC(=O)c1nccn1CC(=O)N(C)c1ccccc1.
What is the InChIKey of ethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate?
The InChIKey is PSCLZMQKZGVPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-21-15(20)14-16-9-10-18(14)11-13(19)17(2)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate?
ethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(N-methylanilino)-2-oxoethyl]imidazole-2-carboxylate is sourced from PubChem (CID 6625295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).