(2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane

C18H26ClNO4 — CID 154699256

IUPAC(2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
SMILESCC(C)[C@@H]1CC[C@@H](C)CC12OOCN(c1ccccc1Cl)COO2
InChIInChI=1S/C18H26ClNO4/c1-13(2)15-9-8-14(3)10-18(15)23-21-11-20(12-22-24-18)17-7-5-4-6-16(17)19/h4-7,13-15H,8-12H2,1-3H3/t14-,15+/m1/s1
InChIKeyXNPOSIPYMSZOLW-CABCVRRESA-N
MW355.86 g/mol
LogP4.76
Rot. Bonds2

About (2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane

(2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane (PubChem CID 154699256) has the molecular formula C18H26ClNO4 and a molecular weight of 355.86 g/mol. Its IUPAC name is (2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane.

Molecular Properties

Compound Name(2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
PubChem CID154699256
Molecular FormulaC18H26ClNO4
Molecular Weight355.86 g/mol
Exact Mass355.16
IUPAC Name(2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
SMILESCC(C)[C@@H]1CC[C@@H](C)CC12OOCN(c1ccccc1Cl)COO2
InChIInChI=1S/C18H26ClNO4/c1-13(2)15-9-8-14(3)10-18(15)23-21-11-20(12-22-24-18)17-7-5-4-6-16(17)19/h4-7,13-15H,8-12H2,1-3H3/t14-,15+/m1/s1
InChIKeyXNPOSIPYMSZOLW-CABCVRRESA-N
XLogP4.76
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.86
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
The IUPAC name of (2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane (CID 154699256) is (2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane.
What is the SMILES notation for (2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
The canonical SMILES for (2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane is CC(C)[C@@H]1CC[C@@H](C)CC12OOCN(c1ccccc1Cl)COO2.
What is the InChIKey of (2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
The InChIKey is XNPOSIPYMSZOLW-CABCVRRESA-N. The full InChI is InChI=1S/C18H26ClNO4/c1-13(2)15-9-8-14(3)10-18(15)23-21-11-20(12-22-24-18)17-7-5-4-6-16(17)19/h4-7,13-15H,8-12H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of (2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
(2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane has a molecular weight of 355.86 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane is sourced from PubChem (CID 154699256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).