2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide

C20H30N2O2 — CID 118743994

IUPAC2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1COC2(CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C20H30N2O2/c1-16(2)21-19(23)12-18-13-20(24-15-18)8-10-22(11-9-20)14-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3,(H,21,23)
InChIKeyAJQVDFDCTOFABS-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.97
Rot. Bonds5

About 2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide

2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide (PubChem CID 118743994) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide
PubChem CID118743994
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1COC2(CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C20H30N2O2/c1-16(2)21-19(23)12-18-13-20(24-15-18)8-10-22(11-9-20)14-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3,(H,21,23)
InChIKeyAJQVDFDCTOFABS-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide (CID 118743994) is 2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CC1COC2(CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide?
The InChIKey is AJQVDFDCTOFABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16(2)21-19(23)12-18-13-20(24-15-18)8-10-22(11-9-20)14-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3,(H,21,23).
What are the key properties of 2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide?
2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide has a molecular weight of 330.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 118743994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).