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

C16H28N2O4 — CID 18583842

IUPACN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C16H28N2O4/c1-12(2)6-9-17-14(19)15(20)18-10-13-11-21-16(22-13)7-4-3-5-8-16/h12-13H,3-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHQERKNYJICYKQW-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.34
Rot. Bonds5

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

N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-methylbutyl)oxamide (PubChem CID 18583842) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-methylbutyl)oxamide
PubChem CID18583842
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C16H28N2O4/c1-12(2)6-9-17-14(19)15(20)18-10-13-11-21-16(22-13)7-4-3-5-8-16/h12-13H,3-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHQERKNYJICYKQW-UHFFFAOYSA-N
XLogP1.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-methylbutyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-methylbutyl)oxamide?
The IUPAC name of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-methylbutyl)oxamide (CID 18583842) is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-methylbutyl)oxamide.
What is the SMILES notation for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-methylbutyl)oxamide?
The canonical SMILES for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-methylbutyl)oxamide is CC(C)CCNC(=O)C(=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-methylbutyl)oxamide?
The InChIKey is HQERKNYJICYKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-12(2)6-9-17-14(19)15(20)18-10-13-11-21-16(22-13)7-4-3-5-8-16/h12-13H,3-11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-methylbutyl)oxamide?
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-methylbutyl)oxamide has a molecular weight of 312.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-methylbutyl)oxamide is sourced from PubChem (CID 18583842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).