1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone

C18H26N2O2 — CID 97472389

IUPAC1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
SMILESC[C@H]1CN(C)C[C@@]12COCCN(C(=O)Cc1ccccc1)C2
InChIInChI=1S/C18H26N2O2/c1-15-11-19(2)12-18(15)13-20(8-9-22-14-18)17(21)10-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3/t15-,18+/m0/s1
InChIKeyOSEWOEWBJMFAIH-MAUKXSAKSA-N
MW302.42 g/mol
LogP1.66
Rot. Bonds2

About 1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone

1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone (PubChem CID 97472389) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
PubChem CID97472389
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
SMILESC[C@H]1CN(C)C[C@@]12COCCN(C(=O)Cc1ccccc1)C2
InChIInChI=1S/C18H26N2O2/c1-15-11-19(2)12-18(15)13-20(8-9-22-14-18)17(21)10-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3/t15-,18+/m0/s1
InChIKeyOSEWOEWBJMFAIH-MAUKXSAKSA-N
XLogP1.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone?
The IUPAC name of 1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone (CID 97472389) is 1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone?
The canonical SMILES for 1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone is C[C@H]1CN(C)C[C@@]12COCCN(C(=O)Cc1ccccc1)C2.
What is the InChIKey of 1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone?
The InChIKey is OSEWOEWBJMFAIH-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-15-11-19(2)12-18(15)13-20(8-9-22-14-18)17(21)10-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of 1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone?
1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone has a molecular weight of 302.42 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone is sourced from PubChem (CID 97472389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).