(4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone

C21H22N2O3 — CID 134792815

IUPAC(4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CC(c2ccccc2)=NO3)cc1
InChIInChI=1S/C21H22N2O3/c1-25-18-9-7-17(8-10-18)20(24)23-13-11-21(12-14-23)15-19(22-26-21)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyCGYLGLDCRAWCBL-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.49
Rot. Bonds3

About (4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone

(4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone (PubChem CID 134792815) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
PubChem CID134792815
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CC(c2ccccc2)=NO3)cc1
InChIInChI=1S/C21H22N2O3/c1-25-18-9-7-17(8-10-18)20(24)23-13-11-21(12-14-23)15-19(22-26-21)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyCGYLGLDCRAWCBL-UHFFFAOYSA-N
XLogP3.49
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
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CID 99794612
2-Methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]phthalazin-1-one
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[4-(2-Methoxyphenyl)piperidin-1-yl]-phenylmethanone
CID 2802386
1-(4-Methoxybenzoyl)-4-phenylpyrrolidin-2-one
CID 3537198
[3-(2-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2953068
[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 6737699
4-[(4-methoxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937526
(4-Fluoro-phenyl)-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-methanone
CID 24746982
N,N-Diethyl-4-[(4-methoxy-phenyl)-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 16224612
[(3R,5R)-4-(2-fluoro-4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 156010308

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone (CID 134792815) is (4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone is COc1ccc(C(=O)N2CCC3(CC2)CC(c2ccccc2)=NO3)cc1.
What is the InChIKey of (4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The InChIKey is CGYLGLDCRAWCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-18-9-7-17(8-10-18)20(24)23-13-11-21(12-14-23)15-19(22-26-21)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3.
What are the key properties of (4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
(4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone is sourced from PubChem (CID 134792815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).