(3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone

C23H27NO3 — CID 24724922

IUPAC(3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
SMILESCc1cc(C)cc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)c1
InChIInChI=1S/C23H27NO3/c1-17-12-18(2)14-21(13-17)22(25)20-5-3-4-19(15-20)16-24-8-6-23(7-9-24)26-10-11-27-23/h3-5,12-15H,6-11,16H2,1-2H3
InChIKeyQEZPFYZPPOMVAE-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.87
Rot. Bonds4

About (3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone

(3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone (PubChem CID 24724922) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
PubChem CID24724922
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
SMILESCc1cc(C)cc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)c1
InChIInChI=1S/C23H27NO3/c1-17-12-18(2)14-21(13-17)22(25)20-5-3-4-19(15-20)16-24-8-6-23(7-9-24)26-10-11-27-23/h3-5,12-15H,6-11,16H2,1-2H3
InChIKeyQEZPFYZPPOMVAE-UHFFFAOYSA-N
XLogP3.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-5-oxopentanoate
CID 24724949
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
(3-methylphenyl)-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724955
8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
(3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24724477
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724806
[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24724838
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049
ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724678
(2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724803
(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724704

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
The IUPAC name of (3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone (CID 24724922) is (3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
The canonical SMILES for (3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone is Cc1cc(C)cc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
The InChIKey is QEZPFYZPPOMVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-17-12-18(2)14-21(13-17)22(25)20-5-3-4-19(15-20)16-24-8-6-23(7-9-24)26-10-11-27-23/h3-5,12-15H,6-11,16H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
(3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone has a molecular weight of 365.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).