methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate

C18H24N2O6 — CID 55773755

IUPACmethyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)NCCC(=O)N2CCCC2)cc1OC
InChIInChI=1S/C18H24N2O6/c1-24-15-11-13(5-6-14(15)26-12-17(22)25-2)18(23)19-8-7-16(21)20-9-3-4-10-20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,23)
InChIKeyZTMMFNJRLFGEQI-UHFFFAOYSA-N
MW364.40 g/mol
LogP0.99
Rot. Bonds8

About methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate

methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate (PubChem CID 55773755) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate
PubChem CID55773755
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Namemethyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)NCCC(=O)N2CCCC2)cc1OC
InChIInChI=1S/C18H24N2O6/c1-24-15-11-13(5-6-14(15)26-12-17(22)25-2)18(23)19-8-7-16(21)20-9-3-4-10-20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,23)
InChIKeyZTMMFNJRLFGEQI-UHFFFAOYSA-N
XLogP0.99
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate with MolForge

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Related Compounds

3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide
CID 51181691
3-(difluoromethoxy)-4-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55803051
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3,4-dimethoxybenzamide
CID 110371011
methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate
CID 55777250
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
3-(3,4-dimethoxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013354
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364363
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide
CID 107034732
N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-3,4-dimethoxybenzamide
CID 16976965
4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157100
methyl 2-[2-methoxy-4-[[3-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate
CID 3532553
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 51181791

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate (CID 55773755) is methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate is COC(=O)COc1ccc(C(=O)NCCC(=O)N2CCCC2)cc1OC.
What is the InChIKey of methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate?
The InChIKey is ZTMMFNJRLFGEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-24-15-11-13(5-6-14(15)26-12-17(22)25-2)18(23)19-8-7-16(21)20-9-3-4-10-20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,23).
What are the key properties of methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate?
methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate has a molecular weight of 364.40 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate is sourced from PubChem (CID 55773755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).