N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide

C14H24N2O4 — CID 7645652

IUPACN'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C14H24N2O4/c1-2-8-15-12(17)13(18)16-9-11-10-19-14(20-11)6-4-3-5-7-14/h11H,2-10H2,1H3,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyGDJHULPDIVAYNA-NSHDSACASA-N
MW284.36 g/mol
LogP0.70
Rot. Bonds4

About N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide

N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide (PubChem CID 7645652) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide
PubChem CID7645652
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC NameN'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C14H24N2O4/c1-2-8-15-12(17)13(18)16-9-11-10-19-14(20-11)6-4-3-5-7-14/h11H,2-10H2,1H3,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyGDJHULPDIVAYNA-NSHDSACASA-N
XLogP0.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.70
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'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide?
The IUPAC name of N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide (CID 7645652) is N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide.
What is the SMILES notation for N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide?
The canonical SMILES for N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide is CCCNC(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide?
The InChIKey is GDJHULPDIVAYNA-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-8-15-12(17)13(18)16-9-11-10-19-14(20-11)6-4-3-5-7-14/h11H,2-10H2,1H3,(H,15,17)(H,16,18)/t11-/m0/s1.
What are the key properties of N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide?
N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide has a molecular weight of 284.36 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide is sourced from PubChem (CID 7645652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).