N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

C12H20N4O3 — CID 50953560

IUPACN-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)N=C(COC)NC2=O
InChIInChI=1S/C12H20N4O3/c1-3-13-11(18)16-6-4-12(5-7-16)10(17)14-9(15-12)8-19-2/h3-8H2,1-2H3,(H,13,18)(H,14,15,17)
InChIKeyBYQUQLVOKRWVHT-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.27
Rot. Bonds3

About N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (PubChem CID 50953560) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
PubChem CID50953560
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)N=C(COC)NC2=O
InChIInChI=1S/C12H20N4O3/c1-3-13-11(18)16-6-4-12(5-7-16)10(17)14-9(15-12)8-19-2/h3-8H2,1-2H3,(H,13,18)(H,14,15,17)
InChIKeyBYQUQLVOKRWVHT-UHFFFAOYSA-N
XLogP-0.27
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 46985220
N-((4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)methyl)acetamide
CID 57908095
2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 170592315
2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane
CID 170592404
2-butyl-N-hexan-2-yl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 170592408
N-cyclopentyl-2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 46985205
N-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 46991290
N-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 46993493
2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 47000215
2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039616
2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110039617
2-[[ethylamino-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 112149802

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The IUPAC name of N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (CID 50953560) is N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.
What is the SMILES notation for N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The canonical SMILES for N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is CCNC(=O)N1CCC2(CC1)N=C(COC)NC2=O.
What is the InChIKey of N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The InChIKey is BYQUQLVOKRWVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-13-11(18)16-6-4-12(5-7-16)10(17)14-9(15-12)8-19-2/h3-8H2,1-2H3,(H,13,18)(H,14,15,17).
What are the key properties of N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is sourced from PubChem (CID 50953560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).