N'-cyclohexyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide

C16H26N2O4 — CID 18583980

IUPACN'-cyclohexyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
SMILESO=C(NCC1COC2(CCCC2)O1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H26N2O4/c19-14(15(20)18-12-6-2-1-3-7-12)17-10-13-11-21-16(22-13)8-4-5-9-16/h12-13H,1-11H2,(H,17,19)(H,18,20)
InChIKeyAMMQCFFMVYEFLY-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.24
Rot. Bonds3

About N'-cyclohexyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide

N'-cyclohexyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide (PubChem CID 18583980) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is N'-cyclohexyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
PubChem CID18583980
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN'-cyclohexyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
SMILESO=C(NCC1COC2(CCCC2)O1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H26N2O4/c19-14(15(20)18-12-6-2-1-3-7-12)17-10-13-11-21-16(22-13)8-4-5-9-16/h12-13H,1-11H2,(H,17,19)(H,18,20)
InChIKeyAMMQCFFMVYEFLY-UHFFFAOYSA-N
XLogP1.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
The IUPAC name of N'-cyclohexyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide (CID 18583980) is N'-cyclohexyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide.
What is the SMILES notation for N'-cyclohexyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
The canonical SMILES for N'-cyclohexyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide is O=C(NCC1COC2(CCCC2)O1)C(=O)NC1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
The InChIKey is AMMQCFFMVYEFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c19-14(15(20)18-12-6-2-1-3-7-12)17-10-13-11-21-16(22-13)8-4-5-9-16/h12-13H,1-11H2,(H,17,19)(H,18,20).
What are the key properties of N'-cyclohexyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
N'-cyclohexyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide has a molecular weight of 310.39 g/mol, XLogP of 1.24, 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[4.4]nonan-3-ylmethyl)oxamide is sourced from PubChem (CID 18583980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).