2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide

C14H25N3O3 — CID 97397965

IUPAC2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCOC[C@@]2(CCCN(C(C)=O)C2)C1
InChIInChI=1S/C14H25N3O3/c1-12(18)17-5-3-4-14(10-17)9-16(6-7-20-11-14)8-13(19)15-2/h3-11H2,1-2H3,(H,15,19)/t14-/m0/s1
InChIKeyYKCGQNFLCGIRBT-AWEZNQCLSA-N
MW283.37 g/mol
LogP-0.31
Rot. Bonds2

About 2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide

2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide (PubChem CID 97397965) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
PubChem CID97397965
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCOC[C@@]2(CCCN(C(C)=O)C2)C1
InChIInChI=1S/C14H25N3O3/c1-12(18)17-5-3-4-14(10-17)9-16(6-7-20-11-14)8-13(19)15-2/h3-11H2,1-2H3,(H,15,19)/t14-/m0/s1
InChIKeyYKCGQNFLCGIRBT-AWEZNQCLSA-N
XLogP-0.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
CID 131643062
N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
CID 131656424
2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
CID 131646910
[(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone
CID 97372902
N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118745931
N-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 166810198
ethane;N-methyl-2-morpholin-4-ylacetamide
CID 143296562
(6R)-11-ethyl-N,N-dimethyl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97372899
N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 131697076
1-(6-azaspiro[3.5]nonan-6-yl)ethanone
CID 131019092
1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494995
1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494997

Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
The IUPAC name of 2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide (CID 97397965) is 2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
The canonical SMILES for 2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide is CNC(=O)CN1CCOC[C@@]2(CCCN(C(C)=O)C2)C1.
What is the InChIKey of 2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
The InChIKey is YKCGQNFLCGIRBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-12(18)17-5-3-4-14(10-17)9-16(6-7-20-11-14)8-13(19)15-2/h3-11H2,1-2H3,(H,15,19)/t14-/m0/s1.
What are the key properties of 2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide has a molecular weight of 283.37 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide is sourced from PubChem (CID 97397965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).