(2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone

C18H26ClN3O2 — CID 99946553

IUPAC(2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone
SMILESCN1CCCN(C(=O)[C@H](O)c2ccccc2Cl)CC12CCNCC2
InChIInChI=1S/C18H26ClN3O2/c1-21-11-4-12-22(13-18(21)7-9-20-10-8-18)17(24)16(23)14-5-2-3-6-15(14)19/h2-3,5-6,16,20,23H,4,7-13H2,1H3/t16-/m1/s1
InChIKeyVNVKNLDJQHFJSG-MRXNPFEDSA-N
MW351.88 g/mol
LogP1.66
Rot. Bonds2

About (2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone

(2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone (PubChem CID 99946553) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone
PubChem CID99946553
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name(2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone
SMILESCN1CCCN(C(=O)[C@H](O)c2ccccc2Cl)CC12CCNCC2
InChIInChI=1S/C18H26ClN3O2/c1-21-11-4-12-22(13-18(21)7-9-20-10-8-18)17(24)16(23)14-5-2-3-6-15(14)19/h2-3,5-6,16,20,23H,4,7-13H2,1H3/t16-/m1/s1
InChIKeyVNVKNLDJQHFJSG-MRXNPFEDSA-N
XLogP1.66
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone (CID 99946553) is (2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone is CN1CCCN(C(=O)[C@H](O)c2ccccc2Cl)CC12CCNCC2.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone?
The InChIKey is VNVKNLDJQHFJSG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-21-11-4-12-22(13-18(21)7-9-20-10-8-18)17(24)16(23)14-5-2-3-6-15(14)19/h2-3,5-6,16,20,23H,4,7-13H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone?
(2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone has a molecular weight of 351.88 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone is sourced from PubChem (CID 99946553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).