ethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one

C101H139N7O11 — CID 162054111

IUPACethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1C(=O)CC(c2ccccc2)C1=O.CC(C)N1C(=O)c2cc3ccccc3cc2C1=O.CC(C)N1C(=O)c2cccc3cccc(c23)C1=O.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)NC(=O)Cc1ccccc1.CC(C)NC(=O)c1ccccc1
InChIInChI=1S/2C15H13NO2.C13H15NO2.C11H11NO2.C11H13NO.C11H15NO.C10H13NO.7C2H6.CH4/c1-9(2)16-14(17)11-7-3-5-10-6-4-8-12(13(10)11)15(16)18;1-9(2)16-14(17)12-7-10-5-3-4-6-11(10)8-13(12)15(16)18;1-9(2)14-12(15)8-11(13(14)16)10-6-4-3-5-7-10;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-8(2)11-10(12)9-6-4-3-5-7-9;7*1-2;/h2*3-9H,1-2H3;3-7,9,11H,8H2,1-2H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3,(H,12,13);3-8H,1-2H3,(H,11,12);7*1-2H3;1H4
InChIKeyYYYFILUPNQLHFP-UHFFFAOYSA-N
MW1627.26 g/mol
LogP22.77
Rot. Bonds11

About ethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one

ethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one (PubChem CID 162054111) has the molecular formula C101H139N7O11 and a molecular weight of 1627.26 g/mol. Its IUPAC name is ethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Nameethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one
PubChem CID162054111
Molecular FormulaC101H139N7O11
Molecular Weight1627.26 g/mol
Exact Mass1626.05
IUPAC Nameethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1C(=O)CC(c2ccccc2)C1=O.CC(C)N1C(=O)c2cc3ccccc3cc2C1=O.CC(C)N1C(=O)c2cccc3cccc(c23)C1=O.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)NC(=O)Cc1ccccc1.CC(C)NC(=O)c1ccccc1
InChIInChI=1S/2C15H13NO2.C13H15NO2.C11H11NO2.C11H13NO.C11H15NO.C10H13NO.7C2H6.CH4/c1-9(2)16-14(17)11-7-3-5-10-6-4-8-12(13(10)11)15(16)18;1-9(2)16-14(17)12-7-10-5-3-4-6-11(10)8-13(12)15(16)18;1-9(2)14-12(15)8-11(13(14)16)10-6-4-3-5-7-10;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-8(2)11-10(12)9-6-4-3-5-7-9;7*1-2;/h2*3-9H,1-2H3;3-7,9,11H,8H2,1-2H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3,(H,12,13);3-8H,1-2H3,(H,11,12);7*1-2H3;1H4
InChIKeyYYYFILUPNQLHFP-UHFFFAOYSA-N
XLogP22.77
TPSA228.03 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001627.26
LogP ≤ 522.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze ethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one?
The IUPAC name of ethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one (CID 162054111) is ethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one.
What is the SMILES notation for ethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one?
The canonical SMILES for ethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one is C.CC.CC.CC.CC.CC.CC.CC.CC(C)N1C(=O)CC(c2ccccc2)C1=O.CC(C)N1C(=O)c2cc3ccccc3cc2C1=O.CC(C)N1C(=O)c2cccc3cccc(c23)C1=O.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)NC(=O)Cc1ccccc1.CC(C)NC(=O)c1ccccc1.
What is the InChIKey of ethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one?
The InChIKey is YYYFILUPNQLHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H13NO2.C13H15NO2.C11H11NO2.C11H13NO.C11H15NO.C10H13NO.7C2H6.CH4/c1-9(2)16-14(17)11-7-3-5-10-6-4-8-12(13(10)11)15(16)18;1-9(2)16-14(17)12-7-10-5-3-4-6-11(10)8-13(12)15(16)18;1-9(2)14-12(15)8-11(13(14)16)10-6-4-3-5-7-10;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-8(2)11-10(12)9-6-4-3-5-7-9;7*1-2;/h2*3-9H,1-2H3;3-7,9,11H,8H2,1-2H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3,(H,12,13);3-8H,1-2H3,(H,11,12);7*1-2H3;1H4.
What are the key properties of ethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one?
ethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one has a molecular weight of 1627.26 g/mol, XLogP of 22.77, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-phenyl-N-propan-2-ylacetamide;3-phenyl-1-propan-2-ylpyrrolidine-2,5-dione;N-propan-2-ylbenzamide;2-propan-2-ylbenzo[de]isoquinoline-1,3-dione;2-propan-2-ylbenzo[f]isoindole-1,3-dione;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 162054111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).