2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide

C29H42N2O2S — CID 134298230

IUPAC2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1CNC(OCC(=O)N(Cc2cccs2)c2ccccc2)C2(CCCCCCCCCC2)C1
InChIInChI=1S/C29H42N2O2S/c1-24-20-29(17-11-6-4-2-3-5-7-12-18-29)28(30-21-24)33-23-27(32)31(22-26-16-13-19-34-26)25-14-9-8-10-15-25/h8-10,13-16,19,24,28,30H,2-7,11-12,17-18,20-23H2,1H3
InChIKeySZYUTJBBZQCBPX-UHFFFAOYSA-N
MW482.73 g/mol
LogP7.15
Rot. Bonds6

About 2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide

2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 134298230) has the molecular formula C29H42N2O2S and a molecular weight of 482.73 g/mol. Its IUPAC name is 2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID134298230
Molecular FormulaC29H42N2O2S
Molecular Weight482.73 g/mol
Exact Mass482.30
IUPAC Name2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1CNC(OCC(=O)N(Cc2cccs2)c2ccccc2)C2(CCCCCCCCCC2)C1
InChIInChI=1S/C29H42N2O2S/c1-24-20-29(17-11-6-4-2-3-5-7-12-18-29)28(30-21-24)33-23-27(32)31(22-26-16-13-19-34-26)25-14-9-8-10-15-25/h8-10,13-16,19,24,28,30H,2-7,11-12,17-18,20-23H2,1H3
InChIKeySZYUTJBBZQCBPX-UHFFFAOYSA-N
XLogP7.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.73
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide (CID 134298230) is 2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide is CC1CNC(OCC(=O)N(Cc2cccs2)c2ccccc2)C2(CCCCCCCCCC2)C1.
What is the InChIKey of 2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SZYUTJBBZQCBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N2O2S/c1-24-20-29(17-11-6-4-2-3-5-7-12-18-29)28(30-21-24)33-23-27(32)31(22-26-16-13-19-34-26)25-14-9-8-10-15-25/h8-10,13-16,19,24,28,30H,2-7,11-12,17-18,20-23H2,1H3.
What are the key properties of 2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 482.73 g/mol, XLogP of 7.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-azaspiro[5.10]hexadecan-1-yl)oxy]-N-phenyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 134298230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).