3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C40H73N7O6 — CID 23344715

IUPAC3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCCCCCCCN(CC(O)CN1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O)CC(O)CN1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C40H73N7O6/c1-12-13-14-15-16-17-18-19-20-45(21-29(48)23-46-31(50)39(41-33(46)52)25-35(2,3)43(10)36(4,5)26-39)22-30(49)24-47-32(51)40(42-34(47)53)27-37(6,7)44(11)38(8,9)28-40/h29-30,48-49H,12-28H2,1-11H3,(H,41,52)(H,42,53)
InChIKeyYUHNRRSVIDQZGD-UHFFFAOYSA-N
MW748.07 g/mol
LogP4.30
Rot. Bonds17

About 3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 23344715) has the molecular formula C40H73N7O6 and a molecular weight of 748.07 g/mol. Its IUPAC name is 3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID23344715
Molecular FormulaC40H73N7O6
Molecular Weight748.07 g/mol
Exact Mass747.56
IUPAC Name3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCCCCCCCN(CC(O)CN1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O)CC(O)CN1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C40H73N7O6/c1-12-13-14-15-16-17-18-19-20-45(21-29(48)23-46-31(50)39(41-33(46)52)25-35(2,3)43(10)36(4,5)26-39)22-30(49)24-47-32(51)40(42-34(47)53)27-37(6,7)44(11)38(8,9)28-40/h29-30,48-49H,12-28H2,1-11H3,(H,41,52)(H,42,53)
InChIKeyYUHNRRSVIDQZGD-UHFFFAOYSA-N
XLogP4.30
TPSA149.00 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500748.07
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 23344715) is 3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCCCCCCCCN(CC(O)CN1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O)CC(O)CN1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O.
What is the InChIKey of 3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is YUHNRRSVIDQZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H73N7O6/c1-12-13-14-15-16-17-18-19-20-45(21-29(48)23-46-31(50)39(41-33(46)52)25-35(2,3)43(10)36(4,5)26-39)22-30(49)24-47-32(51)40(42-34(47)53)27-37(6,7)44(11)38(8,9)28-40/h29-30,48-49H,12-28H2,1-11H3,(H,41,52)(H,42,53).
What are the key properties of 3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 748.07 g/mol, XLogP of 4.30, 17 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[decyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 23344715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).