[2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone

C26H34N2O2 — CID 129053865

IUPAC[2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone
SMILESCC1(C)CN(C(=O)c2ccccc2)CC2(CCCN(CCc3ccccc3)CC2)O1
InChIInChI=1S/C26H34N2O2/c1-25(2)20-28(24(29)23-12-7-4-8-13-23)21-26(30-25)15-9-17-27(19-16-26)18-14-22-10-5-3-6-11-22/h3-8,10-13H,9,14-21H2,1-2H3
InChIKeyAVYCAHLIVKLAHU-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.41
Rot. Bonds4

About [2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone

[2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone (PubChem CID 129053865) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is [2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone
PubChem CID129053865
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name[2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone
SMILESCC1(C)CN(C(=O)c2ccccc2)CC2(CCCN(CCc3ccccc3)CC2)O1
InChIInChI=1S/C26H34N2O2/c1-25(2)20-28(24(29)23-12-7-4-8-13-23)21-26(30-25)15-9-17-27(19-16-26)18-14-22-10-5-3-6-11-22/h3-8,10-13H,9,14-21H2,1-2H3
InChIKeyAVYCAHLIVKLAHU-UHFFFAOYSA-N
XLogP4.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone?
The IUPAC name of [2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone (CID 129053865) is [2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone.
What is the SMILES notation for [2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone?
The canonical SMILES for [2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone is CC1(C)CN(C(=O)c2ccccc2)CC2(CCCN(CCc3ccccc3)CC2)O1.
What is the InChIKey of [2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone?
The InChIKey is AVYCAHLIVKLAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-25(2)20-28(24(29)23-12-7-4-8-13-23)21-26(30-25)15-9-17-27(19-16-26)18-14-22-10-5-3-6-11-22/h3-8,10-13H,9,14-21H2,1-2H3.
What are the key properties of [2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone?
[2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone has a molecular weight of 406.57 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-4-yl]-phenylmethanone is sourced from PubChem (CID 129053865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).