13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one

C20H36N2O3 — CID 18716425

IUPAC13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one
SMILESCOCC(C)CN1C(=O)C2(CC(C)(C)N(C)C(C)(C)C2)OC12CCC2
InChIInChI=1S/C20H36N2O3/c1-15(12-24-7)11-22-16(23)19(25-20(22)9-8-10-20)13-17(2,3)21(6)18(4,5)14-19/h15H,8-14H2,1-7H3
InChIKeyLWLJEGYWANRCPP-UHFFFAOYSA-N
MW352.52 g/mol
LogP3.03
Rot. Bonds4

About 13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one

13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one (PubChem CID 18716425) has the molecular formula C20H36N2O3 and a molecular weight of 352.52 g/mol. Its IUPAC name is 13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one.

Molecular Properties

Compound Name13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one
PubChem CID18716425
Molecular FormulaC20H36N2O3
Molecular Weight352.52 g/mol
Exact Mass352.27
IUPAC Name13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one
SMILESCOCC(C)CN1C(=O)C2(CC(C)(C)N(C)C(C)(C)C2)OC12CCC2
InChIInChI=1S/C20H36N2O3/c1-15(12-24-7)11-22-16(23)19(25-20(22)9-8-10-20)13-17(2,3)21(6)18(4,5)14-19/h15H,8-14H2,1-7H3
InChIKeyLWLJEGYWANRCPP-UHFFFAOYSA-N
XLogP3.03
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one?
The IUPAC name of 13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one (CID 18716425) is 13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one.
What is the SMILES notation for 13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one?
The canonical SMILES for 13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one is COCC(C)CN1C(=O)C2(CC(C)(C)N(C)C(C)(C)C2)OC12CCC2.
What is the InChIKey of 13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one?
The InChIKey is LWLJEGYWANRCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O3/c1-15(12-24-7)11-22-16(23)19(25-20(22)9-8-10-20)13-17(2,3)21(6)18(4,5)14-19/h15H,8-14H2,1-7H3.
What are the key properties of 13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one?
13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one has a molecular weight of 352.52 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(3-methoxy-2-methylpropyl)-8,8,9,10,10-pentamethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one is sourced from PubChem (CID 18716425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).