N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide

C18H28N2O2S — CID 118742419

IUPACN-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
SMILESCC(C)NC(=O)CC1COC2(CCN(Cc3ccsc3)CC2)C1
InChIInChI=1S/C18H28N2O2S/c1-14(2)19-17(21)9-16-10-18(22-12-16)4-6-20(7-5-18)11-15-3-8-23-13-15/h3,8,13-14,16H,4-7,9-12H2,1-2H3,(H,19,21)
InChIKeyUQXOIHZQJJYHQI-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.03
Rot. Bonds5

About N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide

N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide (PubChem CID 118742419) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
PubChem CID118742419
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
SMILESCC(C)NC(=O)CC1COC2(CCN(Cc3ccsc3)CC2)C1
InChIInChI=1S/C18H28N2O2S/c1-14(2)19-17(21)9-16-10-18(22-12-16)4-6-20(7-5-18)11-15-3-8-23-13-15/h3,8,13-14,16H,4-7,9-12H2,1-2H3,(H,19,21)
InChIKeyUQXOIHZQJJYHQI-UHFFFAOYSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide (CID 118742419) is N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide is CC(C)NC(=O)CC1COC2(CCN(Cc3ccsc3)CC2)C1.
What is the InChIKey of N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is UQXOIHZQJJYHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-14(2)19-17(21)9-16-10-18(22-12-16)4-6-20(7-5-18)11-15-3-8-23-13-15/h3,8,13-14,16H,4-7,9-12H2,1-2H3,(H,19,21).
What are the key properties of N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 336.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 118742419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).