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

C15H26N2O4 — CID 18583978

IUPACN'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NCC1COC2(CCCC2)O1
InChIInChI=1S/C15H26N2O4/c1-11(2)5-8-16-13(18)14(19)17-9-12-10-20-15(21-12)6-3-4-7-15/h11-12H,3-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPLKPRWWMGFFTOG-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.95
Rot. Bonds5

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

N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-(3-methylbutyl)oxamide (PubChem CID 18583978) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-(3-methylbutyl)oxamide
PubChem CID18583978
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC NameN'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NCC1COC2(CCCC2)O1
InChIInChI=1S/C15H26N2O4/c1-11(2)5-8-16-13(18)14(19)17-9-12-10-20-15(21-12)6-3-4-7-15/h11-12H,3-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPLKPRWWMGFFTOG-UHFFFAOYSA-N
XLogP0.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.95
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[4.4]nonan-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[4.4]nonan-3-ylmethyl)-N-(3-methylbutyl)oxamide?
The IUPAC name of N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-(3-methylbutyl)oxamide (CID 18583978) is N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-(3-methylbutyl)oxamide.
What is the SMILES notation for N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-(3-methylbutyl)oxamide?
The canonical SMILES for N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-(3-methylbutyl)oxamide is CC(C)CCNC(=O)C(=O)NCC1COC2(CCCC2)O1.
What is the InChIKey of N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-(3-methylbutyl)oxamide?
The InChIKey is PLKPRWWMGFFTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11(2)5-8-16-13(18)14(19)17-9-12-10-20-15(21-12)6-3-4-7-15/h11-12H,3-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-(3-methylbutyl)oxamide?
N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-(3-methylbutyl)oxamide has a molecular weight of 298.38 g/mol, XLogP of 0.95, 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[4.4]nonan-3-ylmethyl)-N-(3-methylbutyl)oxamide is sourced from PubChem (CID 18583978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).