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

C13H22N4O3 — CID 47000215

IUPAC2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCCNC(=O)N1CCC2(CC1)N=C(COC)NC2=O
InChIInChI=1S/C13H22N4O3/c1-3-6-14-12(19)17-7-4-13(5-8-17)11(18)15-10(16-13)9-20-2/h3-9H2,1-2H3,(H,14,19)(H,15,16,18)
InChIKeyZQVGNVXYEIGEIP-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.12
Rot. Bonds4

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

2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (PubChem CID 47000215) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
PubChem CID47000215
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCCNC(=O)N1CCC2(CC1)N=C(COC)NC2=O
InChIInChI=1S/C13H22N4O3/c1-3-6-14-12(19)17-7-4-13(5-8-17)11(18)15-10(16-13)9-20-2/h3-9H2,1-2H3,(H,14,19)(H,15,16,18)
InChIKeyZQVGNVXYEIGEIP-UHFFFAOYSA-N
XLogP0.12
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.12
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-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 50953560
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-[[[[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 2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The IUPAC name of 2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (CID 47000215) is 2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is CCCNC(=O)N1CCC2(CC1)N=C(COC)NC2=O.
What is the InChIKey of 2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The InChIKey is ZQVGNVXYEIGEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-6-14-12(19)17-7-4-13(5-8-17)11(18)15-10(16-13)9-20-2/h3-9H2,1-2H3,(H,14,19)(H,15,16,18).
What are the key properties of 2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is sourced from PubChem (CID 47000215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).