1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

C22H26N2O3 — CID 134805375

IUPAC1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESCOc1cccc(N2C(=O)OCC23CCN(CCCc2ccccc2)C3)c1
InChIInChI=1S/C22H26N2O3/c1-26-20-11-5-10-19(15-20)24-21(25)27-17-22(24)12-14-23(16-22)13-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-11,15H,6,9,12-14,16-17H2,1H3
InChIKeyBEMWBNQMCCSKNN-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.73
Rot. Bonds6

About 1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (PubChem CID 134805375) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
PubChem CID134805375
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESCOc1cccc(N2C(=O)OCC23CCN(CCCc2ccccc2)C3)c1
InChIInChI=1S/C22H26N2O3/c1-26-20-11-5-10-19(15-20)24-21(25)27-17-22(24)12-14-23(16-22)13-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-11,15H,6,9,12-14,16-17H2,1H3
InChIKeyBEMWBNQMCCSKNN-UHFFFAOYSA-N
XLogP3.73
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115064566
2-(2-methoxyethyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176502457
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
8a-hydroxy-4a-(3-methoxyphenyl)-2-(2-phenylethyl)-3,4,5,8-tetrahydro-1H-isoquinoline-6,7-dione
CID 19435415
(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine
CID 54564163
3-[(4-methoxyphenyl)methyl]-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 91218791
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
N-[4a-(3-methoxyphenyl)-8a-methyl-2-(3-phenylpropyl)-3,4,5,6,7,8-hexahydro-1H-isoquinolin-6-yl]-1-benzothiophene-2-carboxamide
CID 73005499
(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 118562293
CID 95794118
CID 95794118
1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine
CID 56678761

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (CID 134805375) is 1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is COc1cccc(N2C(=O)OCC23CCN(CCCc2ccccc2)C3)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is BEMWBNQMCCSKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-20-11-5-10-19(15-20)24-21(25)27-17-22(24)12-14-23(16-22)13-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-11,15H,6,9,12-14,16-17H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 366.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-7-(3-phenylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 134805375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).