2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide

C25H31N3O3 — CID 56580389

IUPAC2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1ccc(C2(CC)CCC(=O)NC2=O)cc1)c1ccccc1
InChIInChI=1S/C25H31N3O3/c1-4-25(17-16-21(29)27-24(25)31)19-12-14-20(15-13-19)26-23(30)22(28(5-2)6-3)18-10-8-7-9-11-18/h7-15,22H,4-6,16-17H2,1-3H3,(H,26,30)(H,27,29,31)
InChIKeyHYBSBGDCUHUYJX-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.79
Rot. Bonds8

About 2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide

2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide (PubChem CID 56580389) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide
PubChem CID56580389
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1ccc(C2(CC)CCC(=O)NC2=O)cc1)c1ccccc1
InChIInChI=1S/C25H31N3O3/c1-4-25(17-16-21(29)27-24(25)31)19-12-14-20(15-13-19)26-23(30)22(28(5-2)6-3)18-10-8-7-9-11-18/h7-15,22H,4-6,16-17H2,1-3H3,(H,26,30)(H,27,29,31)
InChIKeyHYBSBGDCUHUYJX-UHFFFAOYSA-N
XLogP3.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenylacetamide
CID 71879037
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide
CID 40946988
4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide
CID 41025293
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 60570782
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 94533339
2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid
CID 10811829
dimethyl (E)-2-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)anilino]but-2-enedioate
CID 168566996
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 71685436
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 60570598
2-[ethyl(2-hydroxyethyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 110881216
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 60576778
2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide
CID 56540512

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide (CID 56580389) is 2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide is CCN(CC)C(C(=O)Nc1ccc(C2(CC)CCC(=O)NC2=O)cc1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide?
The InChIKey is HYBSBGDCUHUYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-4-25(17-16-21(29)27-24(25)31)19-12-14-20(15-13-19)26-23(30)22(28(5-2)6-3)18-10-8-7-9-11-18/h7-15,22H,4-6,16-17H2,1-3H3,(H,26,30)(H,27,29,31).
What are the key properties of 2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide?
2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide has a molecular weight of 421.54 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 56580389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).