10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one

C19H32N2O3 — CID 91808953

IUPAC10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one
SMILESCC1(C)CC2(CC(C)(C)N1)OC1(CCCCC1)N(CC1CO1)C2=O
InChIInChI=1S/C19H32N2O3/c1-16(2)12-18(13-17(3,4)20-16)15(22)21(10-14-11-23-14)19(24-18)8-6-5-7-9-19/h14,20H,5-13H2,1-4H3
InChIKeyPRISSEUKIBVZEU-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.58
Rot. Bonds2

About 10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one

10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one (PubChem CID 91808953) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one.

Molecular Properties

Compound Name10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one
PubChem CID91808953
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one
SMILESCC1(C)CC2(CC(C)(C)N1)OC1(CCCCC1)N(CC1CO1)C2=O
InChIInChI=1S/C19H32N2O3/c1-16(2)12-18(13-17(3,4)20-16)15(22)21(10-14-11-23-14)19(24-18)8-6-5-7-9-19/h14,20H,5-13H2,1-4H3
InChIKeyPRISSEUKIBVZEU-UHFFFAOYSA-N
XLogP2.58
TPSA54.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one?
The IUPAC name of 10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one (CID 91808953) is 10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one.
What is the SMILES notation for 10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one?
The canonical SMILES for 10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one is CC1(C)CC2(CC(C)(C)N1)OC1(CCCCC1)N(CC1CO1)C2=O.
What is the InChIKey of 10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one?
The InChIKey is PRISSEUKIBVZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-16(2)12-18(13-17(3,4)20-16)15(22)21(10-14-11-23-14)19(24-18)8-6-5-7-9-19/h14,20H,5-13H2,1-4H3.
What are the key properties of 10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one?
10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one has a molecular weight of 336.48 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,12,12-tetramethyl-15-(oxiran-2-ylmethyl)-7-oxa-11,15-diazadispiro[5.1.58.26]pentadecan-14-one is sourced from PubChem (CID 91808953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).