ethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide

C28H32N4O3 — CID 144739371

IUPACethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide
SMILESC=CN.CC.COc1ccccc1-c1ccc(NC(=O)COc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C24H21N3O3.C2H5N.C2H6/c1-29-23-5-3-2-4-22(23)18-6-8-19(9-7-18)26-24(28)16-30-21-12-10-20(11-13-21)27-15-14-25-17-27;1-2-3;1-2/h2-15,17H,16H2,1H3,(H,26,28);2H,1,3H2;1-2H3
InChIKeyJQOWHHWRPUDMPH-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.68
Rot. Bonds7

About ethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide

ethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide (PubChem CID 144739371) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is ethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide.

Molecular Properties

Compound Nameethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide
PubChem CID144739371
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Nameethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide
SMILESC=CN.CC.COc1ccccc1-c1ccc(NC(=O)COc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C24H21N3O3.C2H5N.C2H6/c1-29-23-5-3-2-4-22(23)18-6-8-19(9-7-18)26-24(28)16-30-21-12-10-20(11-13-21)27-15-14-25-17-27;1-2-3;1-2/h2-15,17H,16H2,1H3,(H,26,28);2H,1,3H2;1-2H3
InChIKeyJQOWHHWRPUDMPH-UHFFFAOYSA-N
XLogP5.68
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]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

N-(3,5-dimethoxyphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 4881019
N-(4-imidazol-1-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 31409632
2-(4-imidazol-1-ylphenoxy)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide
CID 86304415
N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 37239311
2-(2,5-dimethoxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845002
2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide
CID 89365128
2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 11545014
N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 86304256
N-(6-imidazol-1-yl-3-pyridinyl)-2-(3-methoxyphenoxy)acetamide
CID 90564820
4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide
CID 37239017
2-(4-ethoxyphenoxy)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 8745409
ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate
CID 47078318

Frequently Asked Questions

What is the IUPAC name of ethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide?
The IUPAC name of ethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide (CID 144739371) is ethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide.
What is the SMILES notation for ethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide?
The canonical SMILES for ethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide is C=CN.CC.COc1ccccc1-c1ccc(NC(=O)COc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of ethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide?
The InChIKey is JQOWHHWRPUDMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3.C2H5N.C2H6/c1-29-23-5-3-2-4-22(23)18-6-8-19(9-7-18)26-24(28)16-30-21-12-10-20(11-13-21)27-15-14-25-17-27;1-2-3;1-2/h2-15,17H,16H2,1H3,(H,26,28);2H,1,3H2;1-2H3.
What are the key properties of ethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide?
ethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide has a molecular weight of 472.59 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenamine;2-(4-imidazol-1-ylphenoxy)-N-[4-(2-methoxyphenyl)phenyl]acetamide is sourced from PubChem (CID 144739371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).