N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide

C13H22N2O4 — CID 7647064

IUPACN-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1
InChIInChI=1S/C13H22N2O4/c1-9(2)15-12(17)11(16)14-7-10-8-18-13(19-10)5-3-4-6-13/h9-10H,3-8H2,1-2H3,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyIZAXSVKBGZKBLU-SNVBAGLBSA-N
MW270.33 g/mol
LogP0.31
Rot. Bonds3

About N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide

N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide (PubChem CID 7647064) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide
PubChem CID7647064
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC NameN-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1
InChIInChI=1S/C13H22N2O4/c1-9(2)15-12(17)11(16)14-7-10-8-18-13(19-10)5-3-4-6-13/h9-10H,3-8H2,1-2H3,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyIZAXSVKBGZKBLU-SNVBAGLBSA-N
XLogP0.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methylpropyl)oxamide
CID 18583869
N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-ethyloxamide
CID 7647063
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide
CID 18583865
N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide
CID 7645652
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'-cyclopropyl-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7646222
N'-cycloheptyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583998
N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
CID 18583844
N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423650
(2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide
CID 124886388
N'-[(4-chlorophenyl)methyl]-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583975

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide (CID 7647064) is N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1.
What is the InChIKey of N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide?
The InChIKey is IZAXSVKBGZKBLU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(2)15-12(17)11(16)14-7-10-8-18-13(19-10)5-3-4-6-13/h9-10H,3-8H2,1-2H3,(H,14,16)(H,15,17)/t10-/m1/s1.
What are the key properties of N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide?
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide has a molecular weight of 270.33 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 7647064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).