cumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide

C148H228F8N8O10 — CID 167681780

IUPACcumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide
SMILESCC(C)C(=O)N(C)C.CC(C)C(=O)NC1CC1.CC(C)C(F)(F)F.CC(C)C(N)=O.CC(C)C1CC1.CC(C)OC(C)C.CC(C)OCC(F)(F)F.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1ccccc1.CC(C)c1ccn(C)n1.CNC(=O)C(C)C.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)ccc1F
InChIInChI=1S/C15H16O.C14H21N.C11H13N.C10H13F.3C10H14O.C9H11F.C9H12.C7H12N2.C7H13NO.C6H13NO.C6H14O.C6H12.C5H9F3O.C5H11NO.C4H7F3.C4H9NO/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-4-5-10(11)8(3)6-9;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)10-5-3-9(7-11)4-6-10;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-5-9(3)8-7;1-5(2)7(9)8-6-3-4-6;1-5(2)6(8)7(3)4;1-5(2)7-6(3)4;1-5(2)6-3-4-6;1-4(2)9-3-5(6,7)8;1-4(2)5(7)6-3;1-3(2)4(5,6)7;1-3(2)4(5)6/h3-12H,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;3-8,12H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;4-6H,1-3H3;5-6H,3-4H2,1-2H3,(H,8,9);5H,1-4H3;5-6H,1-4H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3;4H,1-3H3,(H,6,7);3H,1-2H3;3H,1-2H3,(H2,5,6)
InChIKeyVQMLZVXAMZIKIE-UHFFFAOYSA-N
MW2431.48 g/mol
LogP40.41
Rot. Bonds26

About cumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide

cumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide (PubChem CID 167681780) has the molecular formula C148H228F8N8O10 and a molecular weight of 2431.48 g/mol. Its IUPAC name is cumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide.

Molecular Properties

Compound Namecumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide
PubChem CID167681780
Molecular FormulaC148H228F8N8O10
Molecular Weight2431.48 g/mol
Exact Mass2429.75
IUPAC Namecumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide
SMILESCC(C)C(=O)N(C)C.CC(C)C(=O)NC1CC1.CC(C)C(F)(F)F.CC(C)C(N)=O.CC(C)C1CC1.CC(C)OC(C)C.CC(C)OCC(F)(F)F.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1ccccc1.CC(C)c1ccn(C)n1.CNC(=O)C(C)C.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)ccc1F
InChIInChI=1S/C15H16O.C14H21N.C11H13N.C10H13F.3C10H14O.C9H11F.C9H12.C7H12N2.C7H13NO.C6H13NO.C6H14O.C6H12.C5H9F3O.C5H11NO.C4H7F3.C4H9NO/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-4-5-10(11)8(3)6-9;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)10-5-3-9(7-11)4-6-10;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-5-9(3)8-7;1-5(2)7(9)8-6-3-4-6;1-5(2)6(8)7(3)4;1-5(2)7-6(3)4;1-5(2)6-3-4-6;1-4(2)9-3-5(6,7)8;1-4(2)5(7)6-3;1-3(2)4(5,6)7;1-3(2)4(5)6/h3-12H,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;3-8,12H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;4-6H,1-3H3;5-6H,3-4H2,1-2H3,(H,8,9);5H,1-4H3;5-6H,1-4H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3;4H,1-3H3,(H,6,7);3H,1-2H3;3H,1-2H3,(H2,5,6)
InChIKeyVQMLZVXAMZIKIE-UHFFFAOYSA-N
XLogP40.41
TPSA224.83 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms174
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002431.48
LogP ≤ 540.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze cumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide?
The IUPAC name of cumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide (CID 167681780) is cumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide.
What is the SMILES notation for cumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide?
The canonical SMILES for cumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide is CC(C)C(=O)N(C)C.CC(C)C(=O)NC1CC1.CC(C)C(F)(F)F.CC(C)C(N)=O.CC(C)C1CC1.CC(C)OC(C)C.CC(C)OCC(F)(F)F.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1ccccc1.CC(C)c1ccn(C)n1.CNC(=O)C(C)C.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)ccc1F.
What is the InChIKey of cumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide?
The InChIKey is VQMLZVXAMZIKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C14H21N.C11H13N.C10H13F.3C10H14O.C9H11F.C9H12.C7H12N2.C7H13NO.C6H13NO.C6H14O.C6H12.C5H9F3O.C5H11NO.C4H7F3.C4H9NO/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-4-5-10(11)8(3)6-9;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)10-5-3-9(7-11)4-6-10;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-5-9(3)8-7;1-5(2)7(9)8-6-3-4-6;1-5(2)6(8)7(3)4;1-5(2)7-6(3)4;1-5(2)6-3-4-6;1-4(2)9-3-5(6,7)8;1-4(2)5(7)6-3;1-3(2)4(5,6)7;1-3(2)4(5)6/h3-12H,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;3-8,12H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;4-6H,1-3H3;5-6H,3-4H2,1-2H3,(H,8,9);5H,1-4H3;5-6H,1-4H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3;4H,1-3H3,(H,6,7);3H,1-2H3;3H,1-2H3,(H2,5,6).
What are the key properties of cumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide?
cumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide has a molecular weight of 2431.48 g/mol, XLogP of 40.41, 26 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;N-cyclopropyl-2-methylpropanamide;N,2-dimethylpropanamide;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropanamide;1-methyl-3-propan-2-ylpyrazole;1-phenoxy-4-propan-2-ylbenzene;propan-2-ylcyclopropane;4-propan-2-yl-1H-indole;2-propan-2-yloxypropane;(4-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)piperidine;2-(2,2,2-trifluoroethoxy)propane;1,1,1-trifluoro-2-methylpropane;N,N,2-trimethylpropanamide is sourced from PubChem (CID 167681780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).