4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione

C60H115N5O9 — CID 164974264

About 4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione

4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione (PubChem CID 164974264) has the molecular formula C60H115N5O9 and a molecular weight of 1050.61 g/mol. Its IUPAC name is 4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione.

Molecular Properties

• Compound Name: 4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione
• PubChem CID: 164974264
• Molecular Formula: C60H115N5O9
• Molecular Weight: 1050.61 g/mol
• Exact Mass: 1049.87
• IUPAC Name: 4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione
• SMILES: C=C(CCC(NC(=O)COCCOCCNC(C)(C)C)C(=O)C(C)(C)C)C(C)(C)C.CC(C)(C)NC(CCC(=O)C(C)(C)C)C(=O)C(C)(C)C.CC(C)(C)NC(CCC(=O)NCC(=O)C(C)(C)C)C(=O)C(C)(C)C
• InChI: InChI=1S/C24H46N2O4.C19H36N2O3.C17H33NO2/c1-18(22(2,3)4)11-12-19(21(28)23(5,6)7)26-20(27)17-30-16-15-29-14-13-25-24(8,9)10;1-17(2,3)14(22)12-20-15(23)11-10-13(21-19(7,8)9)16(24)18(4,5)6;1-15(2,3)13(19)11-10-12(18-17(7,8)9)14(20)16(4,5)6/h19,25H,1,11-17H2,2-10H3,(H,26,27);13,21H,10-12H2,1-9H3,(H,20,23);12,18H,10-11H2,1-9H3
• InChIKey: DOBJHEMGASTWKN-UHFFFAOYSA-N
• XLogP: 10.51
• TPSA: 198.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1050.61
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione?

The IUPAC name of 4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione (CID 164974264) is 4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione.

What is the SMILES notation for 4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione?

The canonical SMILES for 4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione is C=C(CCC(NC(=O)COCCOCCNC(C)(C)C)C(=O)C(C)(C)C)C(C)(C)C.CC(C)(C)NC(CCC(=O)C(C)(C)C)C(=O)C(C)(C)C.CC(C)(C)NC(CCC(=O)NCC(=O)C(C)(C)C)C(=O)C(C)(C)C.

What is the InChIKey of 4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione?

The InChIKey is DOBJHEMGASTWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O4.C19H36N2O3.C17H33NO2/c1-18(22(2,3)4)11-12-19(21(28)23(5,6)7)26-20(27)17-30-16-15-29-14-13-25-24(8,9)10;1-17(2,3)14(22)12-20-15(23)11-10-13(21-19(7,8)9)16(24)18(4,5)6;1-15(2,3)13(19)11-10-12(18-17(7,8)9)14(20)16(4,5)6/h19,25H,1,11-17H2,2-10H3,(H,26,27);13,21H,10-12H2,1-9H3,(H,20,23);12,18H,10-11H2,1-9H3.

What are the key properties of 4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione?

4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione has a molecular weight of 1050.61 g/mol, XLogP of 10.51, 25 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione is sourced from PubChem (CID 164974264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).