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

C16H26N4O3 — CID 46991290

IUPACN-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCOCC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)C(=O)N1
InChIInChI=1S/C16H26N4O3/c1-23-11-13-18-14(21)16(19-13)7-9-20(10-8-16)15(22)17-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyRWPNLOXWFMZTLH-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.04
Rot. Bonds3

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

N-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (PubChem CID 46991290) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
PubChem CID46991290
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCOCC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)C(=O)N1
InChIInChI=1S/C16H26N4O3/c1-23-11-13-18-14(21)16(19-13)7-9-20(10-8-16)15(22)17-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyRWPNLOXWFMZTLH-UHFFFAOYSA-N
XLogP1.04
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 50953560
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
2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 47000215
1-Ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine
CID 109818373
2-Methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine
CID 109821109
2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110039617
N-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide
CID 111003097
1-Ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111003692
1-Ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111003693
N-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide
CID 111003957

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The IUPAC name of N-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (CID 46991290) is N-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is COCC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)C(=O)N1.
What is the InChIKey of N-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The InChIKey is RWPNLOXWFMZTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-23-11-13-18-14(21)16(19-13)7-9-20(10-8-16)15(22)17-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,17,22)(H,18,19,21).
What are the key properties of N-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
N-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is sourced from PubChem (CID 46991290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).