2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

C17H29N3O3 — CID 72876242

IUPAC2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESNC(=O)CN1CC2(CCC1=O)CCN(CC1CCCCO1)CC2
InChIInChI=1S/C17H29N3O3/c18-15(21)12-20-13-17(5-4-16(20)22)6-8-19(9-7-17)11-14-3-1-2-10-23-14/h14H,1-13H2,(H2,18,21)
InChIKeyYKTSOBHCWOQSFU-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.75
Rot. Bonds4

About 2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (PubChem CID 72876242) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.

Molecular Properties

Compound Name2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
PubChem CID72876242
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESNC(=O)CN1CC2(CCC1=O)CCN(CC1CCCCO1)CC2
InChIInChI=1S/C17H29N3O3/c18-15(21)12-20-13-17(5-4-16(20)22)6-8-19(9-7-17)11-14-3-1-2-10-23-14/h14H,1-13H2,(H2,18,21)
InChIKeyYKTSOBHCWOQSFU-UHFFFAOYSA-N
XLogP0.75
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The IUPAC name of 2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (CID 72876242) is 2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.
What is the SMILES notation for 2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The canonical SMILES for 2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is NC(=O)CN1CC2(CCC1=O)CCN(CC1CCCCO1)CC2.
What is the InChIKey of 2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The InChIKey is YKTSOBHCWOQSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c18-15(21)12-20-13-17(5-4-16(20)22)6-8-19(9-7-17)11-14-3-1-2-10-23-14/h14H,1-13H2,(H2,18,21).
What are the key properties of 2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(oxan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is sourced from PubChem (CID 72876242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).