N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide

C17H28N2O4 — CID 18583844

IUPACN'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
SMILESO=C(NCC1COC2(CCCCC2)O1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H28N2O4/c20-15(16(21)19-13-7-3-1-4-8-13)18-11-14-12-22-17(23-14)9-5-2-6-10-17/h13-14H,1-12H2,(H,18,20)(H,19,21)
InChIKeyGLVIAYGBVUPMOG-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.63
Rot. Bonds3

About N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide

N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide (PubChem CID 18583844) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
PubChem CID18583844
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC NameN'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
SMILESO=C(NCC1COC2(CCCCC2)O1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H28N2O4/c20-15(16(21)19-13-7-3-1-4-8-13)18-11-14-12-22-17(23-14)9-5-2-6-10-17/h13-14H,1-12H2,(H,18,20)(H,19,21)
InChIKeyGLVIAYGBVUPMOG-UHFFFAOYSA-N
XLogP1.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-cycloheptyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583998
N'-cyclopropyl-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7646222
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide
CID 18583865
N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-ethyloxamide
CID 7647063
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide
CID 51474688
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methylpropyl)oxamide
CID 18583869
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide
CID 7647064
2-[[(cyclopentylamino)-(1,4-dioxaspiro[4.5]decan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036122
N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583979
N-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
CID 7646543
N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423650
N'-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 7645739

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
The IUPAC name of N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide (CID 18583844) is N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide.
What is the SMILES notation for N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
The canonical SMILES for N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide is O=C(NCC1COC2(CCCCC2)O1)C(=O)NC1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
The InChIKey is GLVIAYGBVUPMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c20-15(16(21)19-13-7-3-1-4-8-13)18-11-14-12-22-17(23-14)9-5-2-6-10-17/h13-14H,1-12H2,(H,18,20)(H,19,21).
What are the key properties of N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide has a molecular weight of 324.42 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide is sourced from PubChem (CID 18583844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).