2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one

C17H22N2O4 — CID 167989089

IUPAC2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
SMILESCOc1ccccc1C(C)CC(=O)N1CC2(CN(C)C(=O)O2)C1
InChIInChI=1S/C17H22N2O4/c1-12(13-6-4-5-7-14(13)22-3)8-15(20)19-10-17(11-19)9-18(2)16(21)23-17/h4-7,12H,8-11H2,1-3H3
InChIKeyPPGFYLXVTHBFAX-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.85
Rot. Bonds4

About 2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one

2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one (PubChem CID 167989089) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
PubChem CID167989089
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
SMILESCOc1ccccc1C(C)CC(=O)N1CC2(CN(C)C(=O)O2)C1
InChIInChI=1S/C17H22N2O4/c1-12(13-6-4-5-7-14(13)22-3)8-15(20)19-10-17(11-19)9-18(2)16(21)23-17/h4-7,12H,8-11H2,1-3H3
InChIKeyPPGFYLXVTHBFAX-UHFFFAOYSA-N
XLogP1.85
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(3S)-3-(2-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686206
3-fluoro-1-[3-(2-methoxyphenyl)butanoyl]pyrrolidine-3-carboxylic acid
CID 119258794
(2S)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholine-2-carboxylic acid
CID 125151293
3-(2-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119539238
2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid
CID 125132179
7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 90648661
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(2-methoxyphenyl)butan-1-one
CID 120744032
(3R)-3-(2-methoxyphenyl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95329051
(3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 124571039
propan-2-yl 3-(2-methoxyphenyl)butanoate
CID 10609854
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
CID 97279194
(5R)-3-methyl-7-(3-phenoxypropanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722803

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one (CID 167989089) is 2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one is COc1ccccc1C(C)CC(=O)N1CC2(CN(C)C(=O)O2)C1.
What is the InChIKey of 2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
The InChIKey is PPGFYLXVTHBFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12(13-6-4-5-7-14(13)22-3)8-15(20)19-10-17(11-19)9-18(2)16(21)23-17/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one has a molecular weight of 318.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 167989089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).