methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate

C19H18N2O5 — CID 2230145

IUPACmethyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1C(=O)C[C@@H](Nc2ccc(OC)cc2)C1=O
InChIInChI=1S/C19H18N2O5/c1-25-13-9-7-12(8-10-13)20-15-11-17(22)21(18(15)23)16-6-4-3-5-14(16)19(24)26-2/h3-10,15,20H,11H2,1-2H3/t15-/m1/s1
InChIKeyVZEYJWQSFLWXKX-OAHLLOKOSA-N
MW354.36 g/mol
LogP2.23
Rot. Bonds5

About methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate

methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate (PubChem CID 2230145) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate
PubChem CID2230145
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Namemethyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1C(=O)C[C@@H](Nc2ccc(OC)cc2)C1=O
InChIInChI=1S/C19H18N2O5/c1-25-13-9-7-12(8-10-13)20-15-11-17(22)21(18(15)23)16-6-4-3-5-14(16)19(24)26-2/h3-10,15,20H,11H2,1-2H3/t15-/m1/s1
InChIKeyVZEYJWQSFLWXKX-OAHLLOKOSA-N
XLogP2.23
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 710370
(3S)-3-(4-methoxyanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1143831
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
ethyl 4-[(3S)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1147346
(3S)-3-(4-bromoanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860132
1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2877177
(3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione
CID 2058986
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2858838
4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 2427402
methyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113629
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate?
The IUPAC name of methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate (CID 2230145) is methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate?
The canonical SMILES for methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate is COC(=O)c1ccccc1N1C(=O)C[C@@H](Nc2ccc(OC)cc2)C1=O.
What is the InChIKey of methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate?
The InChIKey is VZEYJWQSFLWXKX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-25-13-9-7-12(8-10-13)20-15-11-17(22)21(18(15)23)16-6-4-3-5-14(16)19(24)26-2/h3-10,15,20H,11H2,1-2H3/t15-/m1/s1.
What are the key properties of methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate?
methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate has a molecular weight of 354.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate is sourced from PubChem (CID 2230145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).