methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate

C22H23N3O4 — CID 55736473

IUPACmethyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)c2ccc(OCc3nccn3C)cc2)cc1
InChIInChI=1S/C22H23N3O4/c1-25-14-13-23-20(25)15-29-19-9-7-17(8-10-19)21(26)24-12-11-16-3-5-18(6-4-16)22(27)28-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,26)
InChIKeyLLWZMCDDOVPOQY-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.76
Rot. Bonds8

About methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate

methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate (PubChem CID 55736473) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate
PubChem CID55736473
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Namemethyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)c2ccc(OCc3nccn3C)cc2)cc1
InChIInChI=1S/C22H23N3O4/c1-25-14-13-23-20(25)15-29-19-9-7-17(8-10-19)21(26)24-12-11-16-3-5-18(6-4-16)22(27)28-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,26)
InChIKeyLLWZMCDDOVPOQY-UHFFFAOYSA-N
XLogP2.76
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate with MolForge

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Related Compounds

methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55848814
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55786680
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 118771709
5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide
CID 55789132
2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 55767360
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
(1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate
CID 75399574
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55841812

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate (CID 55736473) is methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate is COC(=O)c1ccc(CCNC(=O)c2ccc(OCc3nccn3C)cc2)cc1.
What is the InChIKey of methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate?
The InChIKey is LLWZMCDDOVPOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-25-14-13-23-20(25)15-29-19-9-7-17(8-10-19)21(26)24-12-11-16-3-5-18(6-4-16)22(27)28-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,26).
What are the key properties of methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate?
methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate has a molecular weight of 393.44 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate is sourced from PubChem (CID 55736473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).