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

C15H19N3O3 — CID 66133074

IUPACmethyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate
SMILESCCn1cncc1C(Nc1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C15H19N3O3/c1-4-18-10-16-9-13(18)14(15(19)21-3)17-11-5-7-12(20-2)8-6-11/h5-10,14,17H,4H2,1-3H3
InChIKeyHJJYBTWUMSCQIN-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.24
Rot. Bonds6

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

methyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate (PubChem CID 66133074) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate
PubChem CID66133074
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate
SMILESCCn1cncc1C(Nc1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C15H19N3O3/c1-4-18-10-16-9-13(18)14(15(19)21-3)17-11-5-7-12(20-2)8-6-11/h5-10,14,17H,4H2,1-3H3
InChIKeyHJJYBTWUMSCQIN-UHFFFAOYSA-N
XLogP2.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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-ethylimidazol-4-yl)acetate
CID 66133494
ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate
CID 66133075
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-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile
CID 66131417
2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide
CID 66130816
2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide
CID 66134304
2-(3-bromoanilino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66135751
methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate?
The IUPAC name of methyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate (CID 66133074) is methyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate.
What is the SMILES notation for methyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate?
The canonical SMILES for methyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate is CCn1cncc1C(Nc1ccc(OC)cc1)C(=O)OC.
What is the InChIKey of methyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate?
The InChIKey is HJJYBTWUMSCQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-18-10-16-9-13(18)14(15(19)21-3)17-11-5-7-12(20-2)8-6-11/h5-10,14,17H,4H2,1-3H3.
What are the key properties of methyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate?
methyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate has a molecular weight of 289.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate is sourced from PubChem (CID 66133074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).