methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate

C20H21NO4 — CID 110439045

IUPACmethyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2(c3ccccc3OC)CCC2)cc1
InChIInChI=1S/C20H21NO4/c1-24-17-7-4-3-6-16(17)20(12-5-13-20)19(23)21-15-10-8-14(9-11-15)18(22)25-2/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,23)
InChIKeyOFHVJKOCLWFANB-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.54
Rot. Bonds5

About methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate

methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate (PubChem CID 110439045) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate
PubChem CID110439045
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2(c3ccccc3OC)CCC2)cc1
InChIInChI=1S/C20H21NO4/c1-24-17-7-4-3-6-16(17)20(12-5-13-20)19(23)21-15-10-8-14(9-11-15)18(22)25-2/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,23)
InChIKeyOFHVJKOCLWFANB-UHFFFAOYSA-N
XLogP3.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439041
1-(2-methoxyphenyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 110439711
methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 110438930
1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 110439047
1-(2-methoxyphenyl)-N-(3-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439026
N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439021
5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid
CID 119255092
1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide
CID 110486813
methyl 4-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]benzoate
CID 18277869
1-(2-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844537
1-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439650
2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid
CID 122109940

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate (CID 110439045) is methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2(c3ccccc3OC)CCC2)cc1.
What is the InChIKey of methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate?
The InChIKey is OFHVJKOCLWFANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-17-7-4-3-6-16(17)20(12-5-13-20)19(23)21-15-10-8-14(9-11-15)18(22)25-2/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,23).
What are the key properties of methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate?
methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate has a molecular weight of 339.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate is sourced from PubChem (CID 110439045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).