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

C15H19N3O3 — CID 66132458

IUPACmethyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate
SMILESCCn1cncc1C(Nc1cccc(OC)c1)C(=O)OC
InChIInChI=1S/C15H19N3O3/c1-4-18-10-16-9-13(18)14(15(19)21-3)17-11-6-5-7-12(8-11)20-2/h5-10,14,17H,4H2,1-3H3
InChIKeyBSBCLXYXLSPULM-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.24
Rot. Bonds6

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

methyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate (PubChem CID 66132458) 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-(3-methoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate
PubChem CID66132458
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate
SMILESCCn1cncc1C(Nc1cccc(OC)c1)C(=O)OC
InChIInChI=1S/C15H19N3O3/c1-4-18-10-16-9-13(18)14(15(19)21-3)17-11-6-5-7-12(8-11)20-2/h5-10,14,17H,4H2,1-3H3
InChIKeyBSBCLXYXLSPULM-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

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Related Compounds

methyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate
CID 66133074
2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide
CID 66135745
methyl 2-(3-bromoanilino)-2-(3-propylimidazol-4-yl)acetate
CID 66132215
2-(3-bromoanilino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66135751
(3-ethylimidazol-4-yl)-(3-methoxyphenyl)methanol
CID 66135157
ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate
CID 66130621
N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66119415
methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate
CID 60994307
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate
CID 107124340
methyl 2-(3-methoxyanilino)-3-methylpentanoate
CID 61319353
2-(4-ethylphenyl)-2-(3-methoxyanilino)acetamide
CID 61005414
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-(3-methoxyanilino)acetate?
The IUPAC name of methyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate (CID 66132458) is methyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate.
What is the SMILES notation for methyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate?
The canonical SMILES for methyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate is CCn1cncc1C(Nc1cccc(OC)c1)C(=O)OC.
What is the InChIKey of methyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate?
The InChIKey is BSBCLXYXLSPULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-18-10-16-9-13(18)14(15(19)21-3)17-11-6-5-7-12(8-11)20-2/h5-10,14,17H,4H2,1-3H3.
What are the key properties of methyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate?
methyl 2-(3-ethylimidazol-4-yl)-2-(3-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-(3-methoxyanilino)acetate is sourced from PubChem (CID 66132458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).