methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate

C20H21N3O5 — CID 43969881

IUPACmethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)NC2CC(=O)N(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C20H21N3O5/c1-27-17-9-7-16(8-10-17)23-12-15(11-18(23)24)22-20(26)21-14-5-3-13(4-6-14)19(25)28-2/h3-10,15H,11-12H2,1-2H3,(H2,21,22,26)
InChIKeyXXDLFMCZFBPMLK-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.41
Rot. Bonds5

About methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate

methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate (PubChem CID 43969881) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
PubChem CID43969881
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Namemethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)NC2CC(=O)N(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C20H21N3O5/c1-27-17-9-7-16(8-10-17)23-12-15(11-18(23)24)22-20(26)21-14-5-3-13(4-6-14)19(25)28-2/h3-10,15H,11-12H2,1-2H3,(H2,21,22,26)
InChIKeyXXDLFMCZFBPMLK-UHFFFAOYSA-N
XLogP2.41
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate with MolForge

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Related Compounds

methyl 4-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 7545296
N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7545434
1-(4-methoxyphenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513873
1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564279
1-(4-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513465
1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
CID 7244456
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)urea
CID 7533363
1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)urea
CID 43970743
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
CID 18564184
1-(3,4-dichlorophenyl)-3-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545335
1-(3-fluoro-4-methylphenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564287
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 97443631

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate?
The IUPAC name of methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate (CID 43969881) is methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate.
What is the SMILES notation for methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate?
The canonical SMILES for methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate is COC(=O)c1ccc(NC(=O)NC2CC(=O)N(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate?
The InChIKey is XXDLFMCZFBPMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-27-17-9-7-16(8-10-17)23-12-15(11-18(23)24)22-20(26)21-14-5-3-13(4-6-14)19(25)28-2/h3-10,15H,11-12H2,1-2H3,(H2,21,22,26).
What are the key properties of methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate?
methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate has a molecular weight of 383.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate is sourced from PubChem (CID 43969881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).