2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide

C25H39NO2S — CID 123999214

IUPAC2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide
SMILESCCCN(CC1CCC2(CCCCCCCC2)S1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C25H39NO2S/c1-3-18-26(24(27)20-28-22-12-10-21(2)11-13-22)19-23-14-17-25(29-23)15-8-6-4-5-7-9-16-25/h10-13,23H,3-9,14-20H2,1-2H3
InChIKeyZWUUFOWKNAJMQT-UHFFFAOYSA-N
MW417.66 g/mol
LogP6.38
Rot. Bonds7

About 2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide

2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide (PubChem CID 123999214) has the molecular formula C25H39NO2S and a molecular weight of 417.66 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide
PubChem CID123999214
Molecular FormulaC25H39NO2S
Molecular Weight417.66 g/mol
Exact Mass417.27
IUPAC Name2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide
SMILESCCCN(CC1CCC2(CCCCCCCC2)S1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C25H39NO2S/c1-3-18-26(24(27)20-28-22-12-10-21(2)11-13-22)19-23-14-17-25(29-23)15-8-6-4-5-7-9-16-25/h10-13,23H,3-9,14-20H2,1-2H3
InChIKeyZWUUFOWKNAJMQT-UHFFFAOYSA-N
XLogP6.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.66
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-propyl-N-(thiolan-2-ylmethyl)acetamide
CID 123678594
2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide
CID 138547628
N-(cyclohexylmethyl)-N-ethyl-2-(4-methylphenoxy)acetamide
CID 67511309
2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325608
3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325601
2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610766
N-methoxy-N-methyl-2-(4-methylphenoxy)acetamide
CID 59178255
N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 60613009
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
4-[2-(dipropylamino)-2-oxoethoxy]benzamide
CID 8566203
N-ethyl-2-(2-methylphenoxy)-N-(2-thiaspiro[4.7]dodecan-3-ylmethyl)acetamide
CID 123486956
N-ethyl-2-(4-methylphenoxy)-N-(2-methylprop-2-enyl)acetamide
CID 78762140

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide (CID 123999214) is 2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide is CCCN(CC1CCC2(CCCCCCCC2)S1)C(=O)COc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide?
The InChIKey is ZWUUFOWKNAJMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO2S/c1-3-18-26(24(27)20-28-22-12-10-21(2)11-13-22)19-23-14-17-25(29-23)15-8-6-4-5-7-9-16-25/h10-13,23H,3-9,14-20H2,1-2H3.
What are the key properties of 2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide?
2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide has a molecular weight of 417.66 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide is sourced from PubChem (CID 123999214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).