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

C14H24N2O5 — CID 18583849

IUPACN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C14H24N2O5/c17-8-4-7-15-12(18)13(19)16-9-11-10-20-14(21-11)5-2-1-3-6-14/h11,17H,1-10H2,(H,15,18)(H,16,19)
InChIKeyWKRBLMNODKKMCY-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.32
Rot. Bonds5

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

N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-hydroxypropyl)oxamide (PubChem CID 18583849) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-hydroxypropyl)oxamide
PubChem CID18583849
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C14H24N2O5/c17-8-4-7-15-12(18)13(19)16-9-11-10-20-14(21-11)5-2-1-3-6-14/h11,17H,1-10H2,(H,15,18)(H,16,19)
InChIKeyWKRBLMNODKKMCY-UHFFFAOYSA-N
XLogP-0.32
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-hydroxypropyl)oxamide?
The IUPAC name of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-hydroxypropyl)oxamide (CID 18583849) is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-hydroxypropyl)oxamide.
What is the SMILES notation for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-hydroxypropyl)oxamide?
The canonical SMILES for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-hydroxypropyl)oxamide is O=C(NCCCO)C(=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-hydroxypropyl)oxamide?
The InChIKey is WKRBLMNODKKMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c17-8-4-7-15-12(18)13(19)16-9-11-10-20-14(21-11)5-2-1-3-6-14/h11,17H,1-10H2,(H,15,18)(H,16,19).
What are the key properties of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-hydroxypropyl)oxamide?
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-hydroxypropyl)oxamide has a molecular weight of 300.36 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-(3-hydroxypropyl)oxamide is sourced from PubChem (CID 18583849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).