N-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide

C23H35NO2S — CID 123486956

IUPACN-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide
SMILESCCN(CC1CC2(CCCCCCC2)CS1)C(=O)COc1ccccc1C
InChIInChI=1S/C23H35NO2S/c1-3-24(22(25)17-26-21-12-8-7-11-19(21)2)16-20-15-23(18-27-20)13-9-5-4-6-10-14-23/h7-8,11-12,20H,3-6,9-10,13-18H2,1-2H3
InChIKeyJUZJLOMECVAQNF-UHFFFAOYSA-N
MW389.61 g/mol
LogP5.46
Rot. Bonds6

About N-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide

N-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide (PubChem CID 123486956) has the molecular formula C23H35NO2S and a molecular weight of 389.61 g/mol. Its IUPAC name is N-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide
PubChem CID123486956
Molecular FormulaC23H35NO2S
Molecular Weight389.61 g/mol
Exact Mass389.24
IUPAC NameN-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide
SMILESCCN(CC1CC2(CCCCCCC2)CS1)C(=O)COc1ccccc1C
InChIInChI=1S/C23H35NO2S/c1-3-24(22(25)17-26-21-12-8-7-11-19(21)2)16-20-15-23(18-27-20)13-9-5-4-6-10-14-23/h7-8,11-12,20H,3-6,9-10,13-18H2,1-2H3
InChIKeyJUZJLOMECVAQNF-UHFFFAOYSA-N
XLogP5.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.61
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyclononylthiolan-2-yl)methyl]-N-ethyl-2-(2-methylphenoxy)acetamide
CID 138547706
N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 94158151
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
CID 64868951
N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975425
2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide
CID 123999214
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 7761058
2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide
CID 91764944
ethyl 2-[cyclopropyl-[2-(2-methylphenoxy)acetyl]amino]acetate
CID 61410246
N,N-diethyl-4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 110366149

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide (CID 123486956) is N-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide is CCN(CC1CC2(CCCCCCC2)CS1)C(=O)COc1ccccc1C.
What is the InChIKey of N-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide?
The InChIKey is JUZJLOMECVAQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2S/c1-3-24(22(25)17-26-21-12-8-7-11-19(21)2)16-20-15-23(18-27-20)13-9-5-4-6-10-14-23/h7-8,11-12,20H,3-6,9-10,13-18H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide?
N-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide has a molecular weight of 389.61 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide is sourced from PubChem (CID 123486956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).