2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone

C14H26N2O4 — CID 133141018

IUPAC2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone
SMILESCOCC(=O)N1CCOC2(COCCN(C(C)C)C2)C1
InChIInChI=1S/C14H26N2O4/c1-12(2)15-4-6-19-11-14(9-15)10-16(5-7-20-14)13(17)8-18-3/h12H,4-11H2,1-3H3
InChIKeyWSMBJVCGKYFRAO-UHFFFAOYSA-N
MW286.37 g/mol
LogP-0.03
Rot. Bonds3

About 2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone

2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone (PubChem CID 133141018) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone
PubChem CID133141018
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone
SMILESCOCC(=O)N1CCOC2(COCCN(C(C)C)C2)C1
InChIInChI=1S/C14H26N2O4/c1-12(2)15-4-6-19-11-14(9-15)10-16(5-7-20-14)13(17)8-18-3/h12H,4-11H2,1-3H3
InChIKeyWSMBJVCGKYFRAO-UHFFFAOYSA-N
XLogP-0.03
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[[(6R)-4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide
CID 75367802
N,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide
CID 75367804
4-Ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131684078
4-(Butoxyacetyl)-1,8-dioxa-4,11-diazaspiro[5.6]dodecane
CID 56912359
2-butoxy-1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 95726908
2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 95726909
(6R)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide
CID 97373189
(6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide
CID 97373190
1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97495171
1-[(6R)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97495172
(6R)-4-methyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97503807
(6S)-4-methyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97503808

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone?
The IUPAC name of 2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone (CID 133141018) is 2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone is COCC(=O)N1CCOC2(COCCN(C(C)C)C2)C1.
What is the InChIKey of 2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone?
The InChIKey is WSMBJVCGKYFRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-12(2)15-4-6-19-11-14(9-15)10-16(5-7-20-14)13(17)8-18-3/h12H,4-11H2,1-3H3.
What are the key properties of 2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone?
2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone has a molecular weight of 286.37 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)ethanone is sourced from PubChem (CID 133141018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).