10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide

C17H32N4O3 — CID 72879281

IUPAC10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESCOCCN1CCC2(CCC1=O)CN(C(=O)NC(C)C)CCN2C
InChIInChI=1S/C17H32N4O3/c1-14(2)18-16(23)21-10-9-19(3)17(13-21)6-5-15(22)20(8-7-17)11-12-24-4/h14H,5-13H2,1-4H3,(H,18,23)
InChIKeyMFVKLMHMCYRHEZ-UHFFFAOYSA-N
MW340.47 g/mol
LogP0.75
Rot. Bonds4

About 10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide

10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (PubChem CID 72879281) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is 10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.

Molecular Properties

Compound Name10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
PubChem CID72879281
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESCOCCN1CCC2(CCC1=O)CN(C(=O)NC(C)C)CCN2C
InChIInChI=1S/C17H32N4O3/c1-14(2)18-16(23)21-10-9-19(3)17(13-21)6-5-15(22)20(8-7-17)11-12-24-4/h14H,5-13H2,1-4H3,(H,18,23)
InChIKeyMFVKLMHMCYRHEZ-UHFFFAOYSA-N
XLogP0.75
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The IUPAC name of 10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (CID 72879281) is 10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.
What is the SMILES notation for 10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The canonical SMILES for 10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is COCCN1CCC2(CCC1=O)CN(C(=O)NC(C)C)CCN2C.
What is the InChIKey of 10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The InChIKey is MFVKLMHMCYRHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-14(2)18-16(23)21-10-9-19(3)17(13-21)6-5-15(22)20(8-7-17)11-12-24-4/h14H,5-13H2,1-4H3,(H,18,23).
What are the key properties of 10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxyethyl)-1-methyl-9-oxo-N-propan-2-yl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is sourced from PubChem (CID 72879281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).