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

C15H24N2O4 — CID 18583973

IUPACN'-cyclopentyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
SMILESO=C(NCC1COC2(CCCC2)O1)C(=O)NC1CCCC1
InChIInChI=1S/C15H24N2O4/c18-13(14(19)17-11-5-1-2-6-11)16-9-12-10-20-15(21-12)7-3-4-8-15/h11-12H,1-10H2,(H,16,18)(H,17,19)
InChIKeyMVXLFSAKUXCPKN-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.85
Rot. Bonds3

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

N'-cyclopentyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide (PubChem CID 18583973) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N'-cyclopentyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
PubChem CID18583973
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN'-cyclopentyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
SMILESO=C(NCC1COC2(CCCC2)O1)C(=O)NC1CCCC1
InChIInChI=1S/C15H24N2O4/c18-13(14(19)17-11-5-1-2-6-11)16-9-12-10-20-15(21-12)7-3-4-8-15/h11-12H,1-10H2,(H,16,18)(H,17,19)
InChIKeyMVXLFSAKUXCPKN-UHFFFAOYSA-N
XLogP0.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.85
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'-cyclopentyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
The IUPAC name of N'-cyclopentyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide (CID 18583973) is N'-cyclopentyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide.
What is the SMILES notation for N'-cyclopentyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
The canonical SMILES for N'-cyclopentyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide is O=C(NCC1COC2(CCCC2)O1)C(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
The InChIKey is MVXLFSAKUXCPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-13(14(19)17-11-5-1-2-6-11)16-9-12-10-20-15(21-12)7-3-4-8-15/h11-12H,1-10H2,(H,16,18)(H,17,19).
What are the key properties of N'-cyclopentyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
N'-cyclopentyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide has a molecular weight of 296.37 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide is sourced from PubChem (CID 18583973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).