cumene;N,N-dimethyl-4-propan-2-ylbenzamide;N-ethyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzamide;1-ethyl-4-propan-2-ylbenzene;5-ethyl-2-propan-2-ylbenzonitrile;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;methyl 4-propan-2-ylbenzoate;2-methyl-6-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;2-propan-2-ylbenzonitrile

C150H195N13O9 — CID 159382756

About cumene;N,N-dimethyl-4-propan-2-ylbenzamide;N-ethyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzamide;1-ethyl-4-propan-2-ylbenzene;5-ethyl-2-propan-2-ylbenzonitrile;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;methyl 4-propan-2-ylbenzoate;2-methyl-6-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;2-propan-2-ylbenzonitrile

cumene;N,N-dimethyl-4-propan-2-ylbenzamide;N-ethyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzamide;1-ethyl-4-propan-2-ylbenzene;5-ethyl-2-propan-2-ylbenzonitrile;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;methyl 4-propan-2-ylbenzoate;2-methyl-6-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;2-propan-2-ylbenzonitrile (PubChem CID 159382756) has the molecular formula C150H195N13O9 and a molecular weight of 2324.29 g/mol. Its IUPAC name is cumene;N,N-dimethyl-4-propan-2-ylbenzamide;N-ethyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzamide;1-ethyl-4-propan-2-ylbenzene;5-ethyl-2-propan-2-ylbenzonitrile;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;methyl 4-propan-2-ylbenzoate;2-methyl-6-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;2-propan-2-ylbenzonitrile.

Molecular Properties

• Compound Name: cumene;N,N-dimethyl-4-propan-2-ylbenzamide;N-ethyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzamide;1-ethyl-4-propan-2-ylbenzene;5-ethyl-2-propan-2-ylbenzonitrile;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;methyl 4-propan-2-ylbenzoate;2-methyl-6-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;2-propan-2-ylbenzonitrile
• PubChem CID: 159382756
• Molecular Formula: C150H195N13O9
• Molecular Weight: 2324.29 g/mol
• Exact Mass: 2322.52
• IUPAC Name: cumene;N,N-dimethyl-4-propan-2-ylbenzamide;N-ethyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzamide;1-ethyl-4-propan-2-ylbenzene;5-ethyl-2-propan-2-ylbenzonitrile;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;methyl 4-propan-2-ylbenzoate;2-methyl-6-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;2-propan-2-ylbenzonitrile
• SMILES: CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1ccccc1.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(N)=O.CCN(CCO)C(=O)c1ccc(C(C)C)cc1.CCc1ccc(C(C)C)c(C#N)c1.CCc1ccc(C(C)C)cc1.CNC(=O)c1ccc(C(C)C)cc1.COC(=O)c1ccc(C(C)C)cc1.Cc1cn2cc(C(C)C)ncc2n1.[C-]#[N+]c1ccc(C(C)C)cc1.[C-]#[N+]c1cccc(C(C)C)c1
• InChI: InChI=1S/C14H21NO2.C12H17NO.C12H15N.C11H15NO.C11H14O2.C11H16.C10H13N3.3C10H13NO.3C10H11N.C9H12/c1-4-15(9-10-16)14(17)13-7-5-12(6-8-13)11(2)3;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-4-10-5-6-12(9(2)3)11(7-10)8-13;1-8(2)9-4-6-10(7-5-9)11(13)12-3;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)9-6-13-5-8(3)12-10(13)4-11-9;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-5-3-4-6-9(8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-6-4-3-5-7-9/h5-8,11,16H,4,9-10H2,1-3H3;5-9H,1-4H3;5-7,9H,4H2,1-3H3;4-8H,1-3H3,(H,12,13);4-8H,1-3H3;5-9H,4H2,1-3H3;4-7H,1-3H3;3*3-7H,1-2H3,(H2,11,12);2*4-8H,1-2H3;3-6,8H,1-2H3;3-8H,1-2H3
• InChIKey: LLCULPRNLQTVFA-UHFFFAOYSA-N
• XLogP: 36.26
• TPSA: 332.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 26
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2324.29
LogP ≤ 5	36.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cumene;N,N-dimethyl-4-propan-2-ylbenzamide;N-ethyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzamide;1-ethyl-4-propan-2-ylbenzene;5-ethyl-2-propan-2-ylbenzonitrile;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;methyl 4-propan-2-ylbenzoate;2-methyl-6-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;2-propan-2-ylbenzonitrile?

The IUPAC name of cumene;N,N-dimethyl-4-propan-2-ylbenzamide;N-ethyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzamide;1-ethyl-4-propan-2-ylbenzene;5-ethyl-2-propan-2-ylbenzonitrile;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;methyl 4-propan-2-ylbenzoate;2-methyl-6-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;2-propan-2-ylbenzonitrile (CID 159382756) is cumene;N,N-dimethyl-4-propan-2-ylbenzamide;N-ethyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzamide;1-ethyl-4-propan-2-ylbenzene;5-ethyl-2-propan-2-ylbenzonitrile;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;methyl 4-propan-2-ylbenzoate;2-methyl-6-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;2-propan-2-ylbenzonitrile.

What is the SMILES notation for cumene;N,N-dimethyl-4-propan-2-ylbenzamide;N-ethyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzamide;1-ethyl-4-propan-2-ylbenzene;5-ethyl-2-propan-2-ylbenzonitrile;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;methyl 4-propan-2-ylbenzoate;2-methyl-6-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;2-propan-2-ylbenzonitrile?

The canonical SMILES for cumene;N,N-dimethyl-4-propan-2-ylbenzamide;N-ethyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzamide;1-ethyl-4-propan-2-ylbenzene;5-ethyl-2-propan-2-ylbenzonitrile;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;methyl 4-propan-2-ylbenzoate;2-methyl-6-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;2-propan-2-ylbenzonitrile is CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1ccccc1.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(N)=O.CCN(CCO)C(=O)c1ccc(C(C)C)cc1.CCc1ccc(C(C)C)c(C#N)c1.CCc1ccc(C(C)C)cc1.CNC(=O)c1ccc(C(C)C)cc1.COC(=O)c1ccc(C(C)C)cc1.Cc1cn2cc(C(C)C)ncc2n1.[C-]#[N+]c1ccc(C(C)C)cc1.[C-]#[N+]c1cccc(C(C)C)c1.

What is the InChIKey of cumene;N,N-dimethyl-4-propan-2-ylbenzamide;N-ethyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzamide;1-ethyl-4-propan-2-ylbenzene;5-ethyl-2-propan-2-ylbenzonitrile;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;methyl 4-propan-2-ylbenzoate;2-methyl-6-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;2-propan-2-ylbenzonitrile?

The InChIKey is LLCULPRNLQTVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.C12H17NO.C12H15N.C11H15NO.C11H14O2.C11H16.C10H13N3.3C10H13NO.3C10H11N.C9H12/c1-4-15(9-10-16)14(17)13-7-5-12(6-8-13)11(2)3;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-4-10-5-6-12(9(2)3)11(7-10)8-13;1-8(2)9-4-6-10(7-5-9)11(13)12-3;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)9-6-13-5-8(3)12-10(13)4-11-9;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-5-3-4-6-9(8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-6-4-3-5-7-9/h5-8,11,16H,4,9-10H2,1-3H3;5-9H,1-4H3;5-7,9H,4H2,1-3H3;4-8H,1-3H3,(H,12,13);4-8H,1-3H3;5-9H,4H2,1-3H3;4-7H,1-3H3;3*3-7H,1-2H3,(H2,11,12);2*4-8H,1-2H3;3-6,8H,1-2H3;3-8H,1-2H3.

What are the key properties of cumene;N,N-dimethyl-4-propan-2-ylbenzamide;N-ethyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzamide;1-ethyl-4-propan-2-ylbenzene;5-ethyl-2-propan-2-ylbenzonitrile;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;methyl 4-propan-2-ylbenzoate;2-methyl-6-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;2-propan-2-ylbenzonitrile?

cumene;N,N-dimethyl-4-propan-2-ylbenzamide;N-ethyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzamide;1-ethyl-4-propan-2-ylbenzene;5-ethyl-2-propan-2-ylbenzonitrile;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;methyl 4-propan-2-ylbenzoate;2-methyl-6-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;2-propan-2-ylbenzonitrile has a molecular weight of 2324.29 g/mol, XLogP of 36.26, 26 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;N,N-dimethyl-4-propan-2-ylbenzamide;N-ethyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzamide;1-ethyl-4-propan-2-ylbenzene;5-ethyl-2-propan-2-ylbenzonitrile;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;methyl 4-propan-2-ylbenzoate;2-methyl-6-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;2-propan-2-ylbenzonitrile is sourced from PubChem (CID 159382756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).