(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone

C23H28N2O2 — CID 138385530

IUPAC(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone
SMILESCc1cccc(-c2ccccc2C(=O)N2CCOC3(CCN(C)CC3)C2)c1
InChIInChI=1S/C23H28N2O2/c1-18-6-5-7-19(16-18)20-8-3-4-9-21(20)22(26)25-14-15-27-23(17-25)10-12-24(2)13-11-23/h3-9,16H,10-15,17H2,1-2H3
InChIKeyLHCZYIGWIAQBMP-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.60
Rot. Bonds2

About (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone

(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone (PubChem CID 138385530) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone.

Molecular Properties

Compound Name(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone
PubChem CID138385530
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone
SMILESCc1cccc(-c2ccccc2C(=O)N2CCOC3(CCN(C)CC3)C2)c1
InChIInChI=1S/C23H28N2O2/c1-18-6-5-7-19(16-18)20-8-3-4-9-21(20)22(26)25-14-15-27-23(17-25)10-12-24(2)13-11-23/h3-9,16H,10-15,17H2,1-2H3
InChIKeyLHCZYIGWIAQBMP-UHFFFAOYSA-N
XLogP3.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740003
(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 138382961
[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone
CID 164699427
(3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97374282
[2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 91786244
[(3aR,5R,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[2-(3-methylphenyl)phenyl]methanone
CID 86286591
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-[2-(3-methylphenyl)phenyl]methanone
CID 135120241
formic acid;(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-pyridin-4-ylmethanone
CID 154919240
(2-chlorophenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 97449217
[(6R)-8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043133
(3-chloro-2-hydroxy-5-phenylphenyl)-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 154742242
3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911386

Frequently Asked Questions

What is the IUPAC name of (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone?
The IUPAC name of (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone (CID 138385530) is (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone.
What is the SMILES notation for (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone?
The canonical SMILES for (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone is Cc1cccc(-c2ccccc2C(=O)N2CCOC3(CCN(C)CC3)C2)c1.
What is the InChIKey of (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone?
The InChIKey is LHCZYIGWIAQBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18-6-5-7-19(16-18)20-8-3-4-9-21(20)22(26)25-14-15-27-23(17-25)10-12-24(2)13-11-23/h3-9,16H,10-15,17H2,1-2H3.
What are the key properties of (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone?
(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone has a molecular weight of 364.49 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone is sourced from PubChem (CID 138385530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).