[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate

C20H22N2O3 — CID 75405912

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate
SMILESCN(C)C(C(=O)Oc1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-21(2)19(15-7-4-3-5-8-15)20(24)25-17-12-10-16(11-13-17)22-14-6-9-18(22)23/h3-5,7-8,10-13,19H,6,9,14H2,1-2H3
InChIKeyVKSQAPNCHRYIQS-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.02
Rot. Bonds5

About [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate

[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate (PubChem CID 75405912) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate
PubChem CID75405912
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate
SMILESCN(C)C(C(=O)Oc1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-21(2)19(15-7-4-3-5-8-15)20(24)25-17-12-10-16(11-13-17)22-14-6-9-18(22)23/h3-5,7-8,10-13,19H,6,9,14H2,1-2H3
InChIKeyVKSQAPNCHRYIQS-UHFFFAOYSA-N
XLogP3.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide
CID 51188170
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
N-[2-(dimethylamino)-2-phenylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4881454
[2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 55444121
1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one
CID 79015875
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate
CID 46611878
2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307520
(2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide
CID 25480897
(2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid
CID 119372482
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 55321502
N-benzhydryl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2555391
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate
CID 35544576

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate (CID 75405912) is [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate is CN(C)C(C(=O)Oc1ccc(N2CCCC2=O)cc1)c1ccccc1.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate?
The InChIKey is VKSQAPNCHRYIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-21(2)19(15-7-4-3-5-8-15)20(24)25-17-12-10-16(11-13-17)22-14-6-9-18(22)23/h3-5,7-8,10-13,19H,6,9,14H2,1-2H3.
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate?
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate has a molecular weight of 338.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate is sourced from PubChem (CID 75405912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).