N-(8,8-dimethylnonyl)-3-[(4,4-dimethyl-3-oxopentyl)disulfanyl]propanamide;1-[2-[(5,5-dimethyl-4-oxohexyl)disulfanyl]ethyl]-3-[2-(4,4-dimethylpentyldisulfanyl)ethyl]urea;N-[2-(4,4-dimethylpentyldisulfanyl)ethyl]-7,7-dimethyl-6-oxooctanamide;11,11-dimethyl-1-(propan-2-yldisulfanyl)dodecane-3,10-dione;2-methyl-6-[2-(propan-2-ylamino)ethyldisulfanyl]hexan-3-one

C89H175N5O9S12 — CID 159692172

About N-(8,8-dimethylnonyl)-3-[(4,4-dimethyl-3-oxopentyl)disulfanyl]propanamide;1-[2-[(5,5-dimethyl-4-oxohexyl)disulfanyl]ethyl]-3-[2-(4,4-dimethylpentyldisulfanyl)ethyl]urea;N-[2-(4,4-dimethylpentyldisulfanyl)ethyl]-7,7-dimethyl-6-oxooctanamide;11,11-dimethyl-1-(propan-2-yldisulfanyl)dodecane-3,10-dione;2-methyl-6-[2-(propan-2-ylamino)ethyldisulfanyl]hexan-3-one

N-(8,8-dimethylnonyl)-3-[(4,4-dimethyl-3-oxopentyl)disulfanyl]propanamide;1-[2-[(5,5-dimethyl-4-oxohexyl)disulfanyl]ethyl]-3-[2-(4,4-dimethylpentyldisulfanyl)ethyl]urea;N-[2-(4,4-dimethylpentyldisulfanyl)ethyl]-7,7-dimethyl-6-oxooctanamide;11,11-dimethyl-1-(propan-2-yldisulfanyl)dodecane-3,10-dione;2-methyl-6-[2-(propan-2-ylamino)ethyldisulfanyl]hexan-3-one (PubChem CID 159692172) has the molecular formula C89H175N5O9S12 and a molecular weight of 1844.21 g/mol. Its IUPAC name is N-(8,8-dimethylnonyl)-3-[(4,4-dimethyl-3-oxopentyl)disulfanyl]propanamide;1-[2-[(5,5-dimethyl-4-oxohexyl)disulfanyl]ethyl]-3-[2-(4,4-dimethylpentyldisulfanyl)ethyl]urea;N-[2-(4,4-dimethylpentyldisulfanyl)ethyl]-7,7-dimethyl-6-oxooctanamide;11,11-dimethyl-1-(propan-2-yldisulfanyl)dodecane-3,10-dione;2-methyl-6-[2-(propan-2-ylamino)ethyldisulfanyl]hexan-3-one.

Molecular Properties

• Compound Name: N-(8,8-dimethylnonyl)-3-[(4,4-dimethyl-3-oxopentyl)disulfanyl]propanamide;1-[2-[(5,5-dimethyl-4-oxohexyl)disulfanyl]ethyl]-3-[2-(4,4-dimethylpentyldisulfanyl)ethyl]urea;N-[2-(4,4-dimethylpentyldisulfanyl)ethyl]-7,7-dimethyl-6-oxooctanamide;11,11-dimethyl-1-(propan-2-yldisulfanyl)dodecane-3,10-dione;2-methyl-6-[2-(propan-2-ylamino)ethyldisulfanyl]hexan-3-one
• PubChem CID: 159692172
• Molecular Formula: C89H175N5O9S12
• Molecular Weight: 1844.21 g/mol
• Exact Mass: 1842.00
• IUPAC Name: N-(8,8-dimethylnonyl)-3-[(4,4-dimethyl-3-oxopentyl)disulfanyl]propanamide;1-[2-[(5,5-dimethyl-4-oxohexyl)disulfanyl]ethyl]-3-[2-(4,4-dimethylpentyldisulfanyl)ethyl]urea;N-[2-(4,4-dimethylpentyldisulfanyl)ethyl]-7,7-dimethyl-6-oxooctanamide;11,11-dimethyl-1-(propan-2-yldisulfanyl)dodecane-3,10-dione;2-methyl-6-[2-(propan-2-ylamino)ethyldisulfanyl]hexan-3-one
• SMILES: CC(C)(C)CCCCCCCNC(=O)CCSSCCC(=O)C(C)(C)C.CC(C)(C)CCCSSCCNC(=O)CCCCC(=O)C(C)(C)C.CC(C)(C)CCCSSCCNC(=O)NCCSSCCCC(=O)C(C)(C)C.CC(C)NCCSSCCCC(=O)C(C)C.CC(C)SSCCC(=O)CCCCCCC(=O)C(C)(C)C
• InChI: InChI=1S/C21H41NO2S2.C20H40N2O2S4.C19H37NO2S2.C17H32O2S2.C12H25NOS2/c1-20(2,3)14-10-8-7-9-11-15-22-19(24)13-17-26-25-16-12-18(23)21(4,5)6;1-19(2,3)10-8-14-26-28-16-12-22-18(24)21-11-15-27-25-13-7-9-17(23)20(4,5)6;1-18(2,3)12-9-14-23-24-15-13-20-17(22)11-8-7-10-16(21)19(4,5)6;1-14(2)21-20-13-12-15(18)10-8-6-7-9-11-16(19)17(3,4)5;1-10(2)12(14)6-5-8-15-16-9-7-13-11(3)4/h7-17H2,1-6H3,(H,22,24);7-16H2,1-6H3,(H2,21,22,24);7-15H2,1-6H3,(H,20,22);14H,6-13H2,1-5H3;10-11,13H,5-9H2,1-4H3
• InChIKey: MWOBNZZBMZGEAS-UHFFFAOYSA-N
• XLogP: 27.08
• TPSA: 213.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 63
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1844.21
LogP ≤ 5	27.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(8,8-dimethylnonyl)-3-[(4,4-dimethyl-3-oxopentyl)disulfanyl]propanamide;1-[2-[(5,5-dimethyl-4-oxohexyl)disulfanyl]ethyl]-3-[2-(4,4-dimethylpentyldisulfanyl)ethyl]urea;N-[2-(4,4-dimethylpentyldisulfanyl)ethyl]-7,7-dimethyl-6-oxooctanamide;11,11-dimethyl-1-(propan-2-yldisulfanyl)dodecane-3,10-dione;2-methyl-6-[2-(propan-2-ylamino)ethyldisulfanyl]hexan-3-one?

The IUPAC name of N-(8,8-dimethylnonyl)-3-[(4,4-dimethyl-3-oxopentyl)disulfanyl]propanamide;1-[2-[(5,5-dimethyl-4-oxohexyl)disulfanyl]ethyl]-3-[2-(4,4-dimethylpentyldisulfanyl)ethyl]urea;N-[2-(4,4-dimethylpentyldisulfanyl)ethyl]-7,7-dimethyl-6-oxooctanamide;11,11-dimethyl-1-(propan-2-yldisulfanyl)dodecane-3,10-dione;2-methyl-6-[2-(propan-2-ylamino)ethyldisulfanyl]hexan-3-one (CID 159692172) is N-(8,8-dimethylnonyl)-3-[(4,4-dimethyl-3-oxopentyl)disulfanyl]propanamide;1-[2-[(5,5-dimethyl-4-oxohexyl)disulfanyl]ethyl]-3-[2-(4,4-dimethylpentyldisulfanyl)ethyl]urea;N-[2-(4,4-dimethylpentyldisulfanyl)ethyl]-7,7-dimethyl-6-oxooctanamide;11,11-dimethyl-1-(propan-2-yldisulfanyl)dodecane-3,10-dione;2-methyl-6-[2-(propan-2-ylamino)ethyldisulfanyl]hexan-3-one.

What is the SMILES notation for N-(8,8-dimethylnonyl)-3-[(4,4-dimethyl-3-oxopentyl)disulfanyl]propanamide;1-[2-[(5,5-dimethyl-4-oxohexyl)disulfanyl]ethyl]-3-[2-(4,4-dimethylpentyldisulfanyl)ethyl]urea;N-[2-(4,4-dimethylpentyldisulfanyl)ethyl]-7,7-dimethyl-6-oxooctanamide;11,11-dimethyl-1-(propan-2-yldisulfanyl)dodecane-3,10-dione;2-methyl-6-[2-(propan-2-ylamino)ethyldisulfanyl]hexan-3-one?

The canonical SMILES for N-(8,8-dimethylnonyl)-3-[(4,4-dimethyl-3-oxopentyl)disulfanyl]propanamide;1-[2-[(5,5-dimethyl-4-oxohexyl)disulfanyl]ethyl]-3-[2-(4,4-dimethylpentyldisulfanyl)ethyl]urea;N-[2-(4,4-dimethylpentyldisulfanyl)ethyl]-7,7-dimethyl-6-oxooctanamide;11,11-dimethyl-1-(propan-2-yldisulfanyl)dodecane-3,10-dione;2-methyl-6-[2-(propan-2-ylamino)ethyldisulfanyl]hexan-3-one is CC(C)(C)CCCCCCCNC(=O)CCSSCCC(=O)C(C)(C)C.CC(C)(C)CCCSSCCNC(=O)CCCCC(=O)C(C)(C)C.CC(C)(C)CCCSSCCNC(=O)NCCSSCCCC(=O)C(C)(C)C.CC(C)NCCSSCCCC(=O)C(C)C.CC(C)SSCCC(=O)CCCCCCC(=O)C(C)(C)C.

What is the InChIKey of N-(8,8-dimethylnonyl)-3-[(4,4-dimethyl-3-oxopentyl)disulfanyl]propanamide;1-[2-[(5,5-dimethyl-4-oxohexyl)disulfanyl]ethyl]-3-[2-(4,4-dimethylpentyldisulfanyl)ethyl]urea;N-[2-(4,4-dimethylpentyldisulfanyl)ethyl]-7,7-dimethyl-6-oxooctanamide;11,11-dimethyl-1-(propan-2-yldisulfanyl)dodecane-3,10-dione;2-methyl-6-[2-(propan-2-ylamino)ethyldisulfanyl]hexan-3-one?

The InChIKey is MWOBNZZBMZGEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2S2.C20H40N2O2S4.C19H37NO2S2.C17H32O2S2.C12H25NOS2/c1-20(2,3)14-10-8-7-9-11-15-22-19(24)13-17-26-25-16-12-18(23)21(4,5)6;1-19(2,3)10-8-14-26-28-16-12-22-18(24)21-11-15-27-25-13-7-9-17(23)20(4,5)6;1-18(2,3)12-9-14-23-24-15-13-20-17(22)11-8-7-10-16(21)19(4,5)6;1-14(2)21-20-13-12-15(18)10-8-6-7-9-11-16(19)17(3,4)5;1-10(2)12(14)6-5-8-15-16-9-7-13-11(3)4/h7-17H2,1-6H3,(H,22,24);7-16H2,1-6H3,(H2,21,22,24);7-15H2,1-6H3,(H,20,22);14H,6-13H2,1-5H3;10-11,13H,5-9H2,1-4H3.

What are the key properties of N-(8,8-dimethylnonyl)-3-[(4,4-dimethyl-3-oxopentyl)disulfanyl]propanamide;1-[2-[(5,5-dimethyl-4-oxohexyl)disulfanyl]ethyl]-3-[2-(4,4-dimethylpentyldisulfanyl)ethyl]urea;N-[2-(4,4-dimethylpentyldisulfanyl)ethyl]-7,7-dimethyl-6-oxooctanamide;11,11-dimethyl-1-(propan-2-yldisulfanyl)dodecane-3,10-dione;2-methyl-6-[2-(propan-2-ylamino)ethyldisulfanyl]hexan-3-one?

N-(8,8-dimethylnonyl)-3-[(4,4-dimethyl-3-oxopentyl)disulfanyl]propanamide;1-[2-[(5,5-dimethyl-4-oxohexyl)disulfanyl]ethyl]-3-[2-(4,4-dimethylpentyldisulfanyl)ethyl]urea;N-[2-(4,4-dimethylpentyldisulfanyl)ethyl]-7,7-dimethyl-6-oxooctanamide;11,11-dimethyl-1-(propan-2-yldisulfanyl)dodecane-3,10-dione;2-methyl-6-[2-(propan-2-ylamino)ethyldisulfanyl]hexan-3-one has a molecular weight of 1844.21 g/mol, XLogP of 27.08, 63 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(8,8-dimethylnonyl)-3-[(4,4-dimethyl-3-oxopentyl)disulfanyl]propanamide;1-[2-[(5,5-dimethyl-4-oxohexyl)disulfanyl]ethyl]-3-[2-(4,4-dimethylpentyldisulfanyl)ethyl]urea;N-[2-(4,4-dimethylpentyldisulfanyl)ethyl]-7,7-dimethyl-6-oxooctanamide;11,11-dimethyl-1-(propan-2-yldisulfanyl)dodecane-3,10-dione;2-methyl-6-[2-(propan-2-ylamino)ethyldisulfanyl]hexan-3-one is sourced from PubChem (CID 159692172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).