2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide

C16H28N2O2 — CID 95627842

IUPAC2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCC[C@]2(CC=CCC2)C1
InChIInChI=1S/C16H28N2O2/c1-20-12-6-10-17-15(19)13-18-11-5-9-16(14-18)7-3-2-4-8-16/h2-3H,4-14H2,1H3,(H,17,19)/t16-/m1/s1
InChIKeyPORFEDZQRHFOMI-MRXNPFEDSA-N
MW280.41 g/mol
LogP1.96
Rot. Bonds6

About 2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide

2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 95627842) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide
PubChem CID95627842
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCC[C@]2(CC=CCC2)C1
InChIInChI=1S/C16H28N2O2/c1-20-12-6-10-17-15(19)13-18-11-5-9-16(14-18)7-3-2-4-8-16/h2-3H,4-14H2,1H3,(H,17,19)/t16-/m1/s1
InChIKeyPORFEDZQRHFOMI-MRXNPFEDSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide (CID 95627842) is 2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCC[C@]2(CC=CCC2)C1.
What is the InChIKey of 2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is PORFEDZQRHFOMI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-20-12-6-10-17-15(19)13-18-11-5-9-16(14-18)7-3-2-4-8-16/h2-3H,4-14H2,1H3,(H,17,19)/t16-/m1/s1.
What are the key properties of 2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide?
2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 280.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 95627842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).