N-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide

C17H32N2O3 — CID 131963212

IUPACN-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide
SMILESCC(C)(C)CNC(=O)CN1CC2(CCOCC2)CCC1CO
InChIInChI=1S/C17H32N2O3/c1-16(2,3)12-18-15(21)10-19-13-17(5-4-14(19)11-20)6-8-22-9-7-17/h14,20H,4-13H2,1-3H3,(H,18,21)
InChIKeyYVFBAIDQHBAKBV-UHFFFAOYSA-N
MW312.45 g/mol
LogP1.40
Rot. Bonds4

About N-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide

N-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide (PubChem CID 131963212) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide
PubChem CID131963212
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC NameN-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide
SMILESCC(C)(C)CNC(=O)CN1CC2(CCOCC2)CCC1CO
InChIInChI=1S/C17H32N2O3/c1-16(2,3)12-18-15(21)10-19-13-17(5-4-14(19)11-20)6-8-22-9-7-17/h14,20H,4-13H2,1-3H3,(H,18,21)
InChIKeyYVFBAIDQHBAKBV-UHFFFAOYSA-N
XLogP1.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide (CID 131963212) is N-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide is CC(C)(C)CNC(=O)CN1CC2(CCOCC2)CCC1CO.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide?
The InChIKey is YVFBAIDQHBAKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-16(2,3)12-18-15(21)10-19-13-17(5-4-14(19)11-20)6-8-22-9-7-17/h14,20H,4-13H2,1-3H3,(H,18,21).
What are the key properties of N-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide?
N-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide has a molecular weight of 312.45 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide is sourced from PubChem (CID 131963212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).