(2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride

C16H26ClNO4 — CID 57385191

IUPAC(2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride
SMILESCl.O=C1OC2(CCCCC2)O[C@@]12C[C@H](C1CCCCC1)NO2
InChIInChI=1S/C16H25NO4.ClH/c18-14-16(20-15(19-14)9-5-2-6-10-15)11-13(17-21-16)12-7-3-1-4-8-12;/h12-13,17H,1-11H2;1H/t13-,16-;/m1./s1
InChIKeyMMFAEQIZGPGVHB-OALZAMAHSA-N
MW331.84 g/mol
LogP3.21
Rot. Bonds1

About (2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride

(2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride (PubChem CID 57385191) has the molecular formula C16H26ClNO4 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride.

Molecular Properties

Compound Name(2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride
PubChem CID57385191
Molecular FormulaC16H26ClNO4
Molecular Weight331.84 g/mol
Exact Mass331.16
IUPAC Name(2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride
SMILESCl.O=C1OC2(CCCCC2)O[C@@]12C[C@H](C1CCCCC1)NO2
InChIInChI=1S/C16H25NO4.ClH/c18-14-16(20-15(19-14)9-5-2-6-10-15)11-13(17-21-16)12-7-3-1-4-8-12;/h12-13,17H,1-11H2;1H/t13-,16-;/m1./s1
InChIKeyMMFAEQIZGPGVHB-OALZAMAHSA-N
XLogP3.21
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride?
The IUPAC name of (2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride (CID 57385191) is (2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride.
What is the SMILES notation for (2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride?
The canonical SMILES for (2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride is Cl.O=C1OC2(CCCCC2)O[C@@]12C[C@H](C1CCCCC1)NO2.
What is the InChIKey of (2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride?
The InChIKey is MMFAEQIZGPGVHB-OALZAMAHSA-N. The full InChI is InChI=1S/C16H25NO4.ClH/c18-14-16(20-15(19-14)9-5-2-6-10-15)11-13(17-21-16)12-7-3-1-4-8-12;/h12-13,17H,1-11H2;1H/t13-,16-;/m1./s1.
What are the key properties of (2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride?
(2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride has a molecular weight of 331.84 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-cyclohexyl-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one;hydrochloride is sourced from PubChem (CID 57385191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).