2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide

C14H18N4O2 — CID 66135745

IUPAC2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide
SMILESCCn1cncc1C(Nc1ccc(OC)cc1)C(N)=O
InChIInChI=1S/C14H18N4O2/c1-3-18-9-16-8-12(18)13(14(15)19)17-10-4-6-11(20-2)7-5-10/h4-9,13,17H,3H2,1-2H3,(H2,15,19)
InChIKeyMRXNSPRZZHSWLG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.55
Rot. Bonds6

About 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide

2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide (PubChem CID 66135745) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound Name2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide
PubChem CID66135745
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide
SMILESCCn1cncc1C(Nc1ccc(OC)cc1)C(N)=O
InChIInChI=1S/C14H18N4O2/c1-3-18-9-16-8-12(18)13(14(15)19)17-10-4-6-11(20-2)7-5-10/h4-9,13,17H,3H2,1-2H3,(H2,15,19)
InChIKeyMRXNSPRZZHSWLG-UHFFFAOYSA-N
XLogP1.55
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide 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
methyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate
CID 66132458
2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide
CID 66130816
ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate
CID 66133494
ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate
CID 66133075
2-(4-methoxyanilino)butanamide
CID 61005469
2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile
CID 66131417
ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate
CID 66130621
2-(4-methoxyanilino)-2-pyridin-3-ylacetamide
CID 54889099
2-(3-bromoanilino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66135751
3-ethyl-2-(4-methoxyanilino)pentanamide
CID 61317708
2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide
CID 66130419

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide?
The IUPAC name of 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide (CID 66135745) is 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide?
The canonical SMILES for 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide is CCn1cncc1C(Nc1ccc(OC)cc1)C(N)=O.
What is the InChIKey of 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide?
The InChIKey is MRXNSPRZZHSWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-18-9-16-8-12(18)13(14(15)19)17-10-4-6-11(20-2)7-5-10/h4-9,13,17H,3H2,1-2H3,(H2,15,19).
What are the key properties of 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide?
2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 66135745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).