N-(1-acetamido-6,6-dimethyl-5-oxoheptan-4-yl)-4,4-dimethyl-2-propan-2-ylpentanamide;bis(2-amino-5-(4-aminobutyl)-7,7-dimethyl-1-phenyloctane-3,6-dione);7-amino-4-(4-aminobutyl)-2,2,8-trimethylnonane-3,6-dione;N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide;tris(2-methylpropane)

C109H205N11O12 — CID 161088654

About N-(1-acetamido-6,6-dimethyl-5-oxoheptan-4-yl)-4,4-dimethyl-2-propan-2-ylpentanamide;bis(2-amino-5-(4-aminobutyl)-7,7-dimethyl-1-phenyloctane-3,6-dione);7-amino-4-(4-aminobutyl)-2,2,8-trimethylnonane-3,6-dione;N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide;tris(2-methylpropane)

N-(1-acetamido-6,6-dimethyl-5-oxoheptan-4-yl)-4,4-dimethyl-2-propan-2-ylpentanamide;bis(2-amino-5-(4-aminobutyl)-7,7-dimethyl-1-phenyloctane-3,6-dione);7-amino-4-(4-aminobutyl)-2,2,8-trimethylnonane-3,6-dione;N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide;tris(2-methylpropane) (PubChem CID 161088654) has the molecular formula C109H205N11O12 and a molecular weight of 1861.90 g/mol. Its IUPAC name is N-(1-acetamido-6,6-dimethyl-5-oxoheptan-4-yl)-4,4-dimethyl-2-propan-2-ylpentanamide;bis(2-amino-5-(4-aminobutyl)-7,7-dimethyl-1-phenyloctane-3,6-dione);7-amino-4-(4-aminobutyl)-2,2,8-trimethylnonane-3,6-dione;N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide;tris(2-methylpropane).

Molecular Properties

• Compound Name: N-(1-acetamido-6,6-dimethyl-5-oxoheptan-4-yl)-4,4-dimethyl-2-propan-2-ylpentanamide;bis(2-amino-5-(4-aminobutyl)-7,7-dimethyl-1-phenyloctane-3,6-dione);7-amino-4-(4-aminobutyl)-2,2,8-trimethylnonane-3,6-dione;N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide;tris(2-methylpropane)
• PubChem CID: 161088654
• Molecular Formula: C109H205N11O12
• Molecular Weight: 1861.90 g/mol
• Exact Mass: 1860.58
• IUPAC Name: N-(1-acetamido-6,6-dimethyl-5-oxoheptan-4-yl)-4,4-dimethyl-2-propan-2-ylpentanamide;bis(2-amino-5-(4-aminobutyl)-7,7-dimethyl-1-phenyloctane-3,6-dione);7-amino-4-(4-aminobutyl)-2,2,8-trimethylnonane-3,6-dione;N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide;tris(2-methylpropane)
• SMILES: CC(=O)NCCCC(NC(=O)C(CC(C)(C)C)C(C)C)C(=O)C(C)(C)C.CC(C)(C)C(=O)C(CCCCN)CC(=O)C(N)Cc1ccccc1.CC(C)(C)C(=O)C(CCCCN)CC(=O)C(N)Cc1ccccc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C(CC(C)(C)C)C(=O)NC(CCCNC(N)=O)C(=O)C(C)(C)C.CC(C)C(N)C(=O)CC(CCCCN)C(=O)C(C)(C)C
• InChI: InChI=1S/C21H40N2O3.C20H39N3O3.2C20H32N2O2.C16H32N2O2.3C4H10/c1-14(2)16(13-20(4,5)6)19(26)23-17(18(25)21(7,8)9)11-10-12-22-15(3)24;1-13(2)14(12-19(3,4)5)17(25)23-15(16(24)20(6,7)8)10-9-11-22-18(21)26;2*1-20(2,3)19(24)16(11-7-8-12-21)14-18(23)17(22)13-15-9-5-4-6-10-15;1-11(2)14(18)13(19)10-12(8-6-7-9-17)15(20)16(3,4)5;3*1-4(2)3/h14,16-17H,10-13H2,1-9H3,(H,22,24)(H,23,26);13-15H,9-12H2,1-8H3,(H,23,25)(H3,21,22,26);2*4-6,9-10,16-17H,7-8,11-14,21-22H2,1-3H3;11-12,14H,6-10,17-18H2,1-5H3;3*4H,1-3H3
• InChIKey: UGWHKGQRGAWXIX-UHFFFAOYSA-N
• XLogP: 19.98
• TPSA: 435.10 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Rotatable Bonds: 47
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1861.90
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-acetamido-6,6-dimethyl-5-oxoheptan-4-yl)-4,4-dimethyl-2-propan-2-ylpentanamide;bis(2-amino-5-(4-aminobutyl)-7,7-dimethyl-1-phenyloctane-3,6-dione);7-amino-4-(4-aminobutyl)-2,2,8-trimethylnonane-3,6-dione;N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide;tris(2-methylpropane)?

The IUPAC name of N-(1-acetamido-6,6-dimethyl-5-oxoheptan-4-yl)-4,4-dimethyl-2-propan-2-ylpentanamide;bis(2-amino-5-(4-aminobutyl)-7,7-dimethyl-1-phenyloctane-3,6-dione);7-amino-4-(4-aminobutyl)-2,2,8-trimethylnonane-3,6-dione;N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide;tris(2-methylpropane) (CID 161088654) is N-(1-acetamido-6,6-dimethyl-5-oxoheptan-4-yl)-4,4-dimethyl-2-propan-2-ylpentanamide;bis(2-amino-5-(4-aminobutyl)-7,7-dimethyl-1-phenyloctane-3,6-dione);7-amino-4-(4-aminobutyl)-2,2,8-trimethylnonane-3,6-dione;N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide;tris(2-methylpropane).

What is the SMILES notation for N-(1-acetamido-6,6-dimethyl-5-oxoheptan-4-yl)-4,4-dimethyl-2-propan-2-ylpentanamide;bis(2-amino-5-(4-aminobutyl)-7,7-dimethyl-1-phenyloctane-3,6-dione);7-amino-4-(4-aminobutyl)-2,2,8-trimethylnonane-3,6-dione;N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide;tris(2-methylpropane)?

The canonical SMILES for N-(1-acetamido-6,6-dimethyl-5-oxoheptan-4-yl)-4,4-dimethyl-2-propan-2-ylpentanamide;bis(2-amino-5-(4-aminobutyl)-7,7-dimethyl-1-phenyloctane-3,6-dione);7-amino-4-(4-aminobutyl)-2,2,8-trimethylnonane-3,6-dione;N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide;tris(2-methylpropane) is CC(=O)NCCCC(NC(=O)C(CC(C)(C)C)C(C)C)C(=O)C(C)(C)C.CC(C)(C)C(=O)C(CCCCN)CC(=O)C(N)Cc1ccccc1.CC(C)(C)C(=O)C(CCCCN)CC(=O)C(N)Cc1ccccc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C(CC(C)(C)C)C(=O)NC(CCCNC(N)=O)C(=O)C(C)(C)C.CC(C)C(N)C(=O)CC(CCCCN)C(=O)C(C)(C)C.

What is the InChIKey of N-(1-acetamido-6,6-dimethyl-5-oxoheptan-4-yl)-4,4-dimethyl-2-propan-2-ylpentanamide;bis(2-amino-5-(4-aminobutyl)-7,7-dimethyl-1-phenyloctane-3,6-dione);7-amino-4-(4-aminobutyl)-2,2,8-trimethylnonane-3,6-dione;N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide;tris(2-methylpropane)?

The InChIKey is UGWHKGQRGAWXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O3.C20H39N3O3.2C20H32N2O2.C16H32N2O2.3C4H10/c1-14(2)16(13-20(4,5)6)19(26)23-17(18(25)21(7,8)9)11-10-12-22-15(3)24;1-13(2)14(12-19(3,4)5)17(25)23-15(16(24)20(6,7)8)10-9-11-22-18(21)26;2*1-20(2,3)19(24)16(11-7-8-12-21)14-18(23)17(22)13-15-9-5-4-6-10-15;1-11(2)14(18)13(19)10-12(8-6-7-9-17)15(20)16(3,4)5;3*1-4(2)3/h14,16-17H,10-13H2,1-9H3,(H,22,24)(H,23,26);13-15H,9-12H2,1-8H3,(H,23,25)(H3,21,22,26);2*4-6,9-10,16-17H,7-8,11-14,21-22H2,1-3H3;11-12,14H,6-10,17-18H2,1-5H3;3*4H,1-3H3.

What are the key properties of N-(1-acetamido-6,6-dimethyl-5-oxoheptan-4-yl)-4,4-dimethyl-2-propan-2-ylpentanamide;bis(2-amino-5-(4-aminobutyl)-7,7-dimethyl-1-phenyloctane-3,6-dione);7-amino-4-(4-aminobutyl)-2,2,8-trimethylnonane-3,6-dione;N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide;tris(2-methylpropane)?

N-(1-acetamido-6,6-dimethyl-5-oxoheptan-4-yl)-4,4-dimethyl-2-propan-2-ylpentanamide;bis(2-amino-5-(4-aminobutyl)-7,7-dimethyl-1-phenyloctane-3,6-dione);7-amino-4-(4-aminobutyl)-2,2,8-trimethylnonane-3,6-dione;N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide;tris(2-methylpropane) has a molecular weight of 1861.90 g/mol, XLogP of 19.98, 47 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-acetamido-6,6-dimethyl-5-oxoheptan-4-yl)-4,4-dimethyl-2-propan-2-ylpentanamide;bis(2-amino-5-(4-aminobutyl)-7,7-dimethyl-1-phenyloctane-3,6-dione);7-amino-4-(4-aminobutyl)-2,2,8-trimethylnonane-3,6-dione;N-[1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide;tris(2-methylpropane) is sourced from PubChem (CID 161088654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).