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

C19H34N2O3 — CID 23529544

IUPAC13-(3-methoxy-2-methylpropyl)-8,8,10,10-tetramethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one
SMILESCOCC(C)CN1C(=O)C2(CC(C)(C)NC(C)(C)C2)OC12CCC2
InChIInChI=1S/C19H34N2O3/c1-14(11-23-6)10-21-15(22)18(24-19(21)8-7-9-19)12-16(2,3)20-17(4,5)13-18/h14,20H,7-13H2,1-6H3
InChIKeyYDQVFMOFKOPJQV-UHFFFAOYSA-N
MW338.49 g/mol
LogP2.69
Rot. Bonds4

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

13-(3-methoxy-2-methylpropyl)-8,8,10,10-tetramethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one (PubChem CID 23529544) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is 13-(3-methoxy-2-methylpropyl)-8,8,10,10-tetramethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one.

Molecular Properties

Compound Name13-(3-methoxy-2-methylpropyl)-8,8,10,10-tetramethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one
PubChem CID23529544
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name13-(3-methoxy-2-methylpropyl)-8,8,10,10-tetramethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one
SMILESCOCC(C)CN1C(=O)C2(CC(C)(C)NC(C)(C)C2)OC12CCC2
InChIInChI=1S/C19H34N2O3/c1-14(11-23-6)10-21-15(22)18(24-19(21)8-7-9-19)12-16(2,3)20-17(4,5)13-18/h14,20H,7-13H2,1-6H3
InChIKeyYDQVFMOFKOPJQV-UHFFFAOYSA-N
XLogP2.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 13-(3-methoxy-2-methylpropyl)-8,8,10,10-tetramethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one?
The IUPAC name of 13-(3-methoxy-2-methylpropyl)-8,8,10,10-tetramethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one (CID 23529544) is 13-(3-methoxy-2-methylpropyl)-8,8,10,10-tetramethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one.
What is the SMILES notation for 13-(3-methoxy-2-methylpropyl)-8,8,10,10-tetramethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one?
The canonical SMILES for 13-(3-methoxy-2-methylpropyl)-8,8,10,10-tetramethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one is COCC(C)CN1C(=O)C2(CC(C)(C)NC(C)(C)C2)OC12CCC2.
What is the InChIKey of 13-(3-methoxy-2-methylpropyl)-8,8,10,10-tetramethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one?
The InChIKey is YDQVFMOFKOPJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-14(11-23-6)10-21-15(22)18(24-19(21)8-7-9-19)12-16(2,3)20-17(4,5)13-18/h14,20H,7-13H2,1-6H3.
What are the key properties of 13-(3-methoxy-2-methylpropyl)-8,8,10,10-tetramethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one?
13-(3-methoxy-2-methylpropyl)-8,8,10,10-tetramethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one has a molecular weight of 338.49 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(3-methoxy-2-methylpropyl)-8,8,10,10-tetramethyl-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-12-one is sourced from PubChem (CID 23529544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).