2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide

C20H23N3O4 — CID 119815353

IUPAC2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)Cc3ccc(N)cc3)C2=O)c1
InChIInChI=1S/C20H23N3O4/c1-26-16-10-15(11-17(12-16)27-2)23-8-7-18(20(23)25)22-19(24)9-13-3-5-14(21)6-4-13/h3-6,10-12,18H,7-9,21H2,1-2H3,(H,22,24)
InChIKeyRGRKTXVXMPKKPZ-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.75
Rot. Bonds6

About 2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide

2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 119815353) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
PubChem CID119815353
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)Cc3ccc(N)cc3)C2=O)c1
InChIInChI=1S/C20H23N3O4/c1-26-16-10-15(11-17(12-16)27-2)23-8-7-18(20(23)25)22-19(24)9-13-3-5-14(21)6-4-13/h3-6,10-12,18H,7-9,21H2,1-2H3,(H,22,24)
InChIKeyRGRKTXVXMPKKPZ-UHFFFAOYSA-N
XLogP1.75
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide (CID 119815353) is 2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide is COc1cc(OC)cc(N2CCC(NC(=O)Cc3ccc(N)cc3)C2=O)c1.
What is the InChIKey of 2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is RGRKTXVXMPKKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-16-10-15(11-17(12-16)27-2)23-8-7-18(20(23)25)22-19(24)9-13-3-5-14(21)6-4-13/h3-6,10-12,18H,7-9,21H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide?
2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 369.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 119815353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).