1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one

C23H27NO4 — CID 110413029

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1cccc(C(Cc2ccccc2)C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C23H27NO4/c1-26-20-9-5-8-19(17-20)21(16-18-6-3-2-4-7-18)22(25)24-12-10-23(11-13-24)27-14-15-28-23/h2-9,17,21H,10-16H2,1H3
InChIKeyCELAAVGFFUYRIN-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.39
Rot. Bonds5

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one (PubChem CID 110413029) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one
PubChem CID110413029
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1cccc(C(Cc2ccccc2)C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C23H27NO4/c1-26-20-9-5-8-19(17-20)21(16-18-6-3-2-4-7-18)22(25)24-12-10-23(11-13-24)27-14-15-28-23/h2-9,17,21H,10-16H2,1H3
InChIKeyCELAAVGFFUYRIN-UHFFFAOYSA-N
XLogP3.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one with MolForge

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Related Compounds

methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985431
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42783571
8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92627226
(2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
CID 94750035
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759
methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 131709908
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone
CID 109172902
N-[2-(3-propan-2-ylphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112972396
2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 82095275
N-[(2S)-2-(3-methoxyphenyl)-3-phenylpropyl]benzamide
CID 11110747

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one (CID 110413029) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one is COc1cccc(C(Cc2ccccc2)C(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one?
The InChIKey is CELAAVGFFUYRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-26-20-9-5-8-19(17-20)21(16-18-6-3-2-4-7-18)22(25)24-12-10-23(11-13-24)27-14-15-28-23/h2-9,17,21H,10-16H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one has a molecular weight of 381.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 110413029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).