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

C18H30N2O4 — CID 18583860

IUPACN'-cycloheptyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
SMILESO=C(NCC1COC2(CCCCC2)O1)C(=O)NC1CCCCCC1
InChIInChI=1S/C18H30N2O4/c21-16(17(22)20-14-8-4-1-2-5-9-14)19-12-15-13-23-18(24-15)10-6-3-7-11-18/h14-15H,1-13H2,(H,19,21)(H,20,22)
InChIKeyXMLNEMCTIJCLFM-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.02
Rot. Bonds3

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

N'-cycloheptyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide (PubChem CID 18583860) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is N'-cycloheptyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
PubChem CID18583860
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC NameN'-cycloheptyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
SMILESO=C(NCC1COC2(CCCCC2)O1)C(=O)NC1CCCCCC1
InChIInChI=1S/C18H30N2O4/c21-16(17(22)20-14-8-4-1-2-5-9-14)19-12-15-13-23-18(24-15)10-6-3-7-11-18/h14-15H,1-13H2,(H,19,21)(H,20,22)
InChIKeyXMLNEMCTIJCLFM-UHFFFAOYSA-N
XLogP2.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.02
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'-cycloheptyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
The IUPAC name of N'-cycloheptyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide (CID 18583860) is N'-cycloheptyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide.
What is the SMILES notation for N'-cycloheptyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
The canonical SMILES for N'-cycloheptyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide is O=C(NCC1COC2(CCCCC2)O1)C(=O)NC1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
The InChIKey is XMLNEMCTIJCLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c21-16(17(22)20-14-8-4-1-2-5-9-14)19-12-15-13-23-18(24-15)10-6-3-7-11-18/h14-15H,1-13H2,(H,19,21)(H,20,22).
What are the key properties of N'-cycloheptyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
N'-cycloheptyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide has a molecular weight of 338.45 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide is sourced from PubChem (CID 18583860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).