1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one

C19H28N2O5 — CID 56882429

IUPAC1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one
SMILESCOc1ccccc1OC(C)(C)C(=O)N1CCOC2(CNCCOC2)C1
InChIInChI=1S/C19H28N2O5/c1-18(2,26-16-7-5-4-6-15(16)23-3)17(22)21-9-11-25-19(13-21)12-20-8-10-24-14-19/h4-7,20H,8-14H2,1-3H3
InChIKeyGVNWJIJWEJAIOG-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.07
Rot. Bonds4

About 1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one

1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one (PubChem CID 56882429) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one
PubChem CID56882429
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one
SMILESCOc1ccccc1OC(C)(C)C(=O)N1CCOC2(CNCCOC2)C1
InChIInChI=1S/C19H28N2O5/c1-18(2,26-16-7-5-4-6-15(16)23-3)17(22)21-9-11-25-19(13-21)12-20-8-10-24-14-19/h4-7,20H,8-14H2,1-3H3
InChIKeyGVNWJIJWEJAIOG-UHFFFAOYSA-N
XLogP1.07
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one with MolForge

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Related Compounds

(2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95729959
2-(benzotriazol-2-yl)-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 95722302
1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one
CID 97494594
[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 95718325
N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide
CID 95728332
2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138807867
(3-chloro-2-fluorophenyl)-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95726443
[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone
CID 95707901
[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 95721471
1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl-(2-methyl-1-benzofuran-7-yl)methanone
CID 56896829
1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one
CID 95706811
1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-3-pyridin-3-ylpropan-1-one
CID 56884581

Frequently Asked Questions

What is the IUPAC name of 1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one?
The IUPAC name of 1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one (CID 56882429) is 1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one?
The canonical SMILES for 1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one is COc1ccccc1OC(C)(C)C(=O)N1CCOC2(CNCCOC2)C1.
What is the InChIKey of 1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one?
The InChIKey is GVNWJIJWEJAIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-18(2,26-16-7-5-4-6-15(16)23-3)17(22)21-9-11-25-19(13-21)12-20-8-10-24-14-19/h4-7,20H,8-14H2,1-3H3.
What are the key properties of 1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one?
1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one has a molecular weight of 364.44 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one is sourced from PubChem (CID 56882429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).