7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

C16H28N4O4 — CID 118739555

IUPAC7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)NC(C)C)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C16H28N4O4/c1-12(2)17-15(23)20-6-5-19(14(22)8-24-4)10-16(11-20)7-13(21)18(3)9-16/h12H,5-11H2,1-4H3,(H,17,23)
InChIKeyXCSUXURTXDBIQU-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.26
Rot. Bonds3

About 7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 118739555) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound Name7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID118739555
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Name7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)NC(C)C)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C16H28N4O4/c1-12(2)17-15(23)20-6-5-19(14(22)8-24-4)10-16(11-20)7-13(21)18(3)9-16/h12H,5-11H2,1-4H3,(H,17,23)
InChIKeyXCSUXURTXDBIQU-UHFFFAOYSA-N
XLogP-0.26
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97522023
10-N,10-N,2-trimethyl-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 118739783
10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 118740732
(5R)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360053
(5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360054
(5S)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97360271
(5R)-2-ethyl-10-(2-methoxyacetyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97360272
(5S)-10-N,10-N,2-trimethyl-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97522066
(5R)-10-N,10-N,2-trimethyl-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97522067
(5R)-7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97522082
(5S)-7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97522083
(5R)-10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97522094

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of 7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 118739555) is 7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for 7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for 7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is COCC(=O)N1CCN(C(=O)NC(C)C)CC2(CC(=O)N(C)C2)C1.
What is the InChIKey of 7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is XCSUXURTXDBIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-12(2)17-15(23)20-6-5-19(14(22)8-24-4)10-16(11-20)7-13(21)18(3)9-16/h12H,5-11H2,1-4H3,(H,17,23).
What are the key properties of 7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 340.42 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyacetyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 118739555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).