2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide

C14H27N3O4 — CID 134079078

IUPAC2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCOCC2(CN(CCOC)CCO2)C1
InChIInChI=1S/C14H27N3O4/c1-15-13(18)9-17-4-7-20-12-14(11-17)10-16(3-6-19-2)5-8-21-14/h3-12H2,1-2H3,(H,15,18)
InChIKeyMTACGJLJHXIOIA-UHFFFAOYSA-N
MW301.39 g/mol
LogP-1.22
Rot. Bonds5

About 2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide

2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide (PubChem CID 134079078) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide
PubChem CID134079078
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCOCC2(CN(CCOC)CCO2)C1
InChIInChI=1S/C14H27N3O4/c1-15-13(18)9-17-4-7-20-12-14(11-17)10-16(3-6-19-2)5-8-21-14/h3-12H2,1-2H3,(H,15,18)
InChIKeyMTACGJLJHXIOIA-UHFFFAOYSA-N
XLogP-1.22
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155872453
1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone
CID 134072862
N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide
CID 134072875
ethane;N-methyl-2-morpholin-4-ylacetamide
CID 143296562
2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
CID 97397965
2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
CID 131646910
N,N-dimethyl-2-[(6S)-4-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide
CID 97398407
(6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95717928
ethane;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]morpholine
CID 143677740
N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
CID 131656424
(5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97406862
N-[[(2S,5S)-7-(2-methoxyethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrazine-2-carboxamide
CID 124798184

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide (CID 134079078) is 2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide is CNC(=O)CN1CCOCC2(CN(CCOC)CCO2)C1.
What is the InChIKey of 2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide?
The InChIKey is MTACGJLJHXIOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-15-13(18)9-17-4-7-20-12-14(11-17)10-16(3-6-19-2)5-8-21-14/h3-12H2,1-2H3,(H,15,18).
What are the key properties of 2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide?
2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide has a molecular weight of 301.39 g/mol, XLogP of -1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide is sourced from PubChem (CID 134079078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).