methyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate

C18H21N3O4 — CID 45485561

IUPACmethyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(n2cnc(NC(=O)Cc3ccc(OC)cc3)c2)C1
InChIInChI=1S/C18H21N3O4/c1-24-15-5-3-12(4-6-15)7-17(22)20-16-10-21(11-19-16)14-8-13(9-14)18(23)25-2/h3-6,10-11,13-14H,7-9H2,1-2H3,(H,20,22)
InChIKeyRMQMCGSCLKFYRU-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.20
Rot. Bonds6

About methyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate

methyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate (PubChem CID 45485561) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate
PubChem CID45485561
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Namemethyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(n2cnc(NC(=O)Cc3ccc(OC)cc3)c2)C1
InChIInChI=1S/C18H21N3O4/c1-24-15-5-3-12(4-6-15)7-17(22)20-16-10-21(11-19-16)14-8-13(9-14)18(23)25-2/h3-6,10-11,13-14H,7-9H2,1-2H3,(H,20,22)
InChIKeyRMQMCGSCLKFYRU-UHFFFAOYSA-N
XLogP2.20
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate with MolForge

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Related Compounds

2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide
CID 45485638
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113038853
N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113030692
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide
CID 110314406
2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113040242
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
2-(4-methoxyphenyl)-N-pyrrolidin-1-ylacetamide
CID 22146742
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
CID 3596684
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429
N-[1-[6-(pyridine-2-carbonyl)-3-bicyclo[3.1.0]hexanyl]imidazol-4-yl]-2-quinolin-6-ylacetamide
CID 22025996

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate (CID 45485561) is methyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate is COC(=O)C1CC(n2cnc(NC(=O)Cc3ccc(OC)cc3)c2)C1.
What is the InChIKey of methyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate?
The InChIKey is RMQMCGSCLKFYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-15-5-3-12(4-6-15)7-17(22)20-16-10-21(11-19-16)14-8-13(9-14)18(23)25-2/h3-6,10-11,13-14H,7-9H2,1-2H3,(H,20,22).
What are the key properties of methyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate?
methyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate is sourced from PubChem (CID 45485561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).