6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate

C34H56N6O8 — CID 54328470

IUPAC6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
SMILESCN1C(C)(C)CC2(CC1(C)C)NC(=O)N(CC(=O)OCCCCCCOC(=O)CN1C(=O)NC3(CC(C)(C)N(C)C(C)(C)C3)C1=O)C2=O
InChIInChI=1S/C34H56N6O8/c1-29(2)19-33(20-30(3,4)37(29)9)25(43)39(27(45)35-33)17-23(41)47-15-13-11-12-14-16-48-24(42)18-40-26(44)34(36-28(40)46)21-31(5,6)38(10)32(7,8)22-34/h11-22H2,1-10H3,(H,35,45)(H,36,46)
InChIKeySWQFGHQTBKVTHS-UHFFFAOYSA-N
MW676.86 g/mol
LogP2.78
Rot. Bonds11

About 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate

6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate (PubChem CID 54328470) has the molecular formula C34H56N6O8 and a molecular weight of 676.86 g/mol. Its IUPAC name is 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
PubChem CID54328470
Molecular FormulaC34H56N6O8
Molecular Weight676.86 g/mol
Exact Mass676.42
IUPAC Name6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
SMILESCN1C(C)(C)CC2(CC1(C)C)NC(=O)N(CC(=O)OCCCCCCOC(=O)CN1C(=O)NC3(CC(C)(C)N(C)C(C)(C)C3)C1=O)C2=O
InChIInChI=1S/C34H56N6O8/c1-29(2)19-33(20-30(3,4)37(29)9)25(43)39(27(45)35-33)17-23(41)47-15-13-11-12-14-16-48-24(42)18-40-26(44)34(36-28(40)46)21-31(5,6)38(10)32(7,8)22-34/h11-22H2,1-10H3,(H,35,45)(H,36,46)
InChIKeySWQFGHQTBKVTHS-UHFFFAOYSA-N
XLogP2.78
TPSA157.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500676.86
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate (CID 54328470) is 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate is CN1C(C)(C)CC2(CC1(C)C)NC(=O)N(CC(=O)OCCCCCCOC(=O)CN1C(=O)NC3(CC(C)(C)N(C)C(C)(C)C3)C1=O)C2=O.
What is the InChIKey of 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is SWQFGHQTBKVTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56N6O8/c1-29(2)19-33(20-30(3,4)37(29)9)25(43)39(27(45)35-33)17-23(41)47-15-13-11-12-14-16-48-24(42)18-40-26(44)34(36-28(40)46)21-31(5,6)38(10)32(7,8)22-34/h11-22H2,1-10H3,(H,35,45)(H,36,46).
What are the key properties of 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate?
6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 676.86 g/mol, XLogP of 2.78, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl]oxyhexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 54328470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).