N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide

C16H22N2O3S — CID 90510786

IUPACN-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC2(CC1)OCCS2
InChIInChI=1S/C16H22N2O3S/c1-2-20-14-6-4-3-5-13(14)17-15(19)18-9-7-16(8-10-18)21-11-12-22-16/h3-6H,2,7-12H2,1H3,(H,17,19)
InChIKeyGOURKTSOWBGUEI-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.17
Rot. Bonds3

About N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide

N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 90510786) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID90510786
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC2(CC1)OCCS2
InChIInChI=1S/C16H22N2O3S/c1-2-20-14-6-4-3-5-13(14)17-15(19)18-9-7-16(8-10-18)21-11-12-22-16/h3-6H,2,7-12H2,1H3,(H,17,19)
InChIKeyGOURKTSOWBGUEI-UHFFFAOYSA-N
XLogP3.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-(2-ethoxyphenyl)-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 138387517
4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3540252
N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169538
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
(2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
CID 56764624
N-(2-ethoxyphenyl)-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide
CID 90632987
N-(2-ethoxyphenyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 90522272
N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 6469538
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide (CID 90510786) is N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide is CCOc1ccccc1NC(=O)N1CCC2(CC1)OCCS2.
What is the InChIKey of N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is GOURKTSOWBGUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-2-20-14-6-4-3-5-13(14)17-15(19)18-9-7-16(8-10-18)21-11-12-22-16/h3-6H,2,7-12H2,1H3,(H,17,19).
What are the key properties of N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide?
N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 90510786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).