8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C88H126N14O6 — CID 160636633

IUPAC8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[C-]#[N+]C(C)(C)CN1CC2(CCC(CC)(c3ccccc3)CC2)N(COC)C1=O.[C-]#[N+]C(C)(C)CN1CC2(CCC(CC)(c3ccccc3)CC2)NC1=O.[C-]#[N+]C(C)(C)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(COC)C1=O.[C-]#[N+]C(C)(C)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C23H34N4O2.C23H33N3O2.C21H30N4O.C21H29N3O/c1-21(2,24-3)16-26-17-22(27(18-29-6)20(26)28)12-14-23(15-13-22,25(4)5)19-10-8-7-9-11-19;1-6-22(19-10-8-7-9-11-19)12-14-23(15-13-22)17-25(16-21(2,3)24-4)20(27)26(23)18-28-5;1-19(2,22-3)15-25-16-20(23-18(25)26)11-13-21(14-12-20,24(4)5)17-9-7-6-8-10-17;1-5-20(17-9-7-6-8-10-17)11-13-21(14-12-20)16-24(18(25)23-21)15-19(2,3)22-4/h7-11H,12-18H2,1-2,4-6H3;7-11H,6,12-18H2,1-3,5H3;6-10H,11-16H2,1-2,4-5H3,(H,23,26);6-10H,5,11-16H2,1-3H3,(H,23,25)
InChIKeyRIPTVOMHKXFRNF-UHFFFAOYSA-N
MW1476.07 g/mol
LogP16.33
Rot. Bonds20

About 8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 160636633) has the molecular formula C88H126N14O6 and a molecular weight of 1476.07 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID160636633
Molecular FormulaC88H126N14O6
Molecular Weight1476.07 g/mol
Exact Mass1475.00
IUPAC Name8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[C-]#[N+]C(C)(C)CN1CC2(CCC(CC)(c3ccccc3)CC2)N(COC)C1=O.[C-]#[N+]C(C)(C)CN1CC2(CCC(CC)(c3ccccc3)CC2)NC1=O.[C-]#[N+]C(C)(C)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(COC)C1=O.[C-]#[N+]C(C)(C)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C23H34N4O2.C23H33N3O2.C21H30N4O.C21H29N3O/c1-21(2,24-3)16-26-17-22(27(18-29-6)20(26)28)12-14-23(15-13-22,25(4)5)19-10-8-7-9-11-19;1-6-22(19-10-8-7-9-11-19)12-14-23(15-13-22)17-25(16-21(2,3)24-4)20(27)26(23)18-28-5;1-19(2,22-3)15-25-16-20(23-18(25)26)11-13-21(14-12-20,24(4)5)17-9-7-6-8-10-17;1-5-20(17-9-7-6-8-10-17)11-13-21(14-12-20)16-24(18(25)23-21)15-19(2,3)22-4/h7-11H,12-18H2,1-2,4-6H3;7-11H,6,12-18H2,1-3,5H3;6-10H,11-16H2,1-2,4-5H3,(H,23,26);6-10H,5,11-16H2,1-3H3,(H,23,25)
InChIKeyRIPTVOMHKXFRNF-UHFFFAOYSA-N
XLogP16.33
TPSA154.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001476.07
LogP ≤ 516.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 160636633) is 8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is [C-]#[N+]C(C)(C)CN1CC2(CCC(CC)(c3ccccc3)CC2)N(COC)C1=O.[C-]#[N+]C(C)(C)CN1CC2(CCC(CC)(c3ccccc3)CC2)NC1=O.[C-]#[N+]C(C)(C)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(COC)C1=O.[C-]#[N+]C(C)(C)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is RIPTVOMHKXFRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2.C23H33N3O2.C21H30N4O.C21H29N3O/c1-21(2,24-3)16-26-17-22(27(18-29-6)20(26)28)12-14-23(15-13-22,25(4)5)19-10-8-7-9-11-19;1-6-22(19-10-8-7-9-11-19)12-14-23(15-13-22)17-25(16-21(2,3)24-4)20(27)26(23)18-28-5;1-19(2,22-3)15-25-16-20(23-18(25)26)11-13-21(14-12-20,24(4)5)17-9-7-6-8-10-17;1-5-20(17-9-7-6-8-10-17)11-13-21(14-12-20)16-24(18(25)23-21)15-19(2,3)22-4/h7-11H,12-18H2,1-2,4-6H3;7-11H,6,12-18H2,1-3,5H3;6-10H,11-16H2,1-2,4-5H3,(H,23,26);6-10H,5,11-16H2,1-3H3,(H,23,25).
What are the key properties of 8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 1476.07 g/mol, XLogP of 16.33, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-1-(methoxymethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-ethyl-3-(2-isocyano-2-methylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 160636633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).