N,N-dimethyl-4-propan-2-ylbenzamide;(4-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine

C118H166FN9O8 — CID 159277635

About N,N-dimethyl-4-propan-2-ylbenzamide;(4-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine

N,N-dimethyl-4-propan-2-ylbenzamide;(4-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine (PubChem CID 159277635) has the molecular formula C118H166FN9O8 and a molecular weight of 1857.68 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylbenzamide;(4-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-4-propan-2-ylbenzamide;(4-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine
• PubChem CID: 159277635
• Molecular Formula: C118H166FN9O8
• Molecular Weight: 1857.68 g/mol
• Exact Mass: 1856.28
• IUPAC Name: N,N-dimethyl-4-propan-2-ylbenzamide;(4-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine
• SMILES: CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(F)nc1.CC(C)c1cccc(CN)c1.CCN1CCN(C(=O)c2ccc(C(C)C)cc2)CC1.COc1ccccc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1
• InChI: InChI=1S/C16H24N2O.C15H21NO.2C14H19NO2.C12H17NO.C10H15N.C10H14O.C10H14.C9H13N.C8H10FN/c1-4-17-9-11-18(12-10-17)16(19)15-7-5-14(6-8-15)13(2)3;1-12(2)13-6-8-14(9-7-13)15(17)16-10-4-3-5-11-16;2*1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-4-8(9)10-5-7/h5-8,13H,4,9-12H2,1-3H3;6-9,12H,3-5,10-11H2,1-2H3;2*3-6,11H,7-10H2,1-2H3;5-9H,1-4H3;3-6,8H,7,11H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;3-6H,1-2H3
• InChIKey: KYNAIHMOSIZBIA-UHFFFAOYSA-N
• XLogP: 26.16
• TPSA: 184.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1857.68
LogP ≤ 5	26.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylbenzamide;(4-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine?

The IUPAC name of N,N-dimethyl-4-propan-2-ylbenzamide;(4-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine (CID 159277635) is N,N-dimethyl-4-propan-2-ylbenzamide;(4-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine.

What is the SMILES notation for N,N-dimethyl-4-propan-2-ylbenzamide;(4-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine?

The canonical SMILES for N,N-dimethyl-4-propan-2-ylbenzamide;(4-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine is CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(F)nc1.CC(C)c1cccc(CN)c1.CCN1CCN(C(=O)c2ccc(C(C)C)cc2)CC1.COc1ccccc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.

What is the InChIKey of N,N-dimethyl-4-propan-2-ylbenzamide;(4-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine?

The InChIKey is KYNAIHMOSIZBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.C15H21NO.2C14H19NO2.C12H17NO.C10H15N.C10H14O.C10H14.C9H13N.C8H10FN/c1-4-17-9-11-18(12-10-17)16(19)15-7-5-14(6-8-15)13(2)3;1-12(2)13-6-8-14(9-7-13)15(17)16-10-4-3-5-11-16;2*1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-4-8(9)10-5-7/h5-8,13H,4,9-12H2,1-3H3;6-9,12H,3-5,10-11H2,1-2H3;2*3-6,11H,7-10H2,1-2H3;5-9H,1-4H3;3-6,8H,7,11H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;3-6H,1-2H3.

What are the key properties of N,N-dimethyl-4-propan-2-ylbenzamide;(4-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine?

N,N-dimethyl-4-propan-2-ylbenzamide;(4-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine has a molecular weight of 1857.68 g/mol, XLogP of 26.16, 18 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-propan-2-ylbenzamide;(4-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 159277635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).