[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate

C21H22N2O4 — CID 9134419

IUPAC[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESCN(C)C(=O)[C@@H](OC(=O)c1ccccc1N1CCCC1=O)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-22(2)20(25)19(15-9-4-3-5-10-15)27-21(26)16-11-6-7-12-17(16)23-14-8-13-18(23)24/h3-7,9-12,19H,8,13-14H2,1-2H3/t19-/m0/s1
InChIKeyFSPJCFKMLKESSA-IBGZPJMESA-N
MW366.42 g/mol
LogP2.80
Rot. Bonds5

About [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9134419) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9134419
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESCN(C)C(=O)[C@@H](OC(=O)c1ccccc1N1CCCC1=O)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-22(2)20(25)19(15-9-4-3-5-10-15)27-21(26)16-11-6-7-12-17(16)23-14-8-13-18(23)24/h3-7,9-12,19H,8,13-14H2,1-2H3/t19-/m0/s1
InChIKeyFSPJCFKMLKESSA-IBGZPJMESA-N
XLogP2.80
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132405
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132504
[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133350
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131293
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7715162
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132940
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 55392029
phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131445
[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133971
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133447
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133683
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132678

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate (CID 9134419) is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate is CN(C)C(=O)[C@@H](OC(=O)c1ccccc1N1CCCC1=O)c1ccccc1.
What is the InChIKey of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is FSPJCFKMLKESSA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N2O4/c1-22(2)20(25)19(15-9-4-3-5-10-15)27-21(26)16-11-6-7-12-17(16)23-14-8-13-18(23)24/h3-7,9-12,19H,8,13-14H2,1-2H3/t19-/m0/s1.
What are the key properties of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 366.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9134419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).