methyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate

C15H19N3O2 — CID 66133284

IUPACmethyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate
SMILESCCn1cncc1C(Nc1ccc(C)cc1)C(=O)OC
InChIInChI=1S/C15H19N3O2/c1-4-18-10-16-9-13(18)14(15(19)20-3)17-12-7-5-11(2)6-8-12/h5-10,14,17H,4H2,1-3H3
InChIKeyNCHRHHUDRWXLAH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.54
Rot. Bonds5

About methyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate

methyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate (PubChem CID 66133284) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate
PubChem CID66133284
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate
SMILESCCn1cncc1C(Nc1ccc(C)cc1)C(=O)OC
InChIInChI=1S/C15H19N3O2/c1-4-18-10-16-9-13(18)14(15(19)20-3)17-12-7-5-11(2)6-8-12/h5-10,14,17H,4H2,1-3H3
InChIKeyNCHRHHUDRWXLAH-UHFFFAOYSA-N
XLogP2.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate 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 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate
CID 66133074
ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate
CID 66133494
ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate
CID 66133075
2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide
CID 66135745
methyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate
CID 66132458
ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate
CID 66130621
methyl 2-(3-bromoanilino)-2-(3-propylimidazol-4-yl)acetate
CID 66132215
2-(4-methylanilino)-2-(3-methylimidazol-4-yl)acetic acid
CID 66119421
2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide
CID 66130816
2-(3-bromoanilino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66135751
methyl 2-(butan-2-ylamino)-2-(3-propylimidazol-4-yl)acetate
CID 66131426
2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide
CID 66134304

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate?
The IUPAC name of methyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate (CID 66133284) is methyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate.
What is the SMILES notation for methyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate?
The canonical SMILES for methyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate is CCn1cncc1C(Nc1ccc(C)cc1)C(=O)OC.
What is the InChIKey of methyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate?
The InChIKey is NCHRHHUDRWXLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-18-10-16-9-13(18)14(15(19)20-3)17-12-7-5-11(2)6-8-12/h5-10,14,17H,4H2,1-3H3.
What are the key properties of methyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate?
methyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate has a molecular weight of 273.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate is sourced from PubChem (CID 66133284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).