2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide

C17H26N2O2 — CID 119557950

IUPAC2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
SMILESCc1ccc(OCC(=O)NCCC2CCCNC2)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-13-5-6-16(14(2)10-13)21-12-17(20)19-9-7-15-4-3-8-18-11-15/h5-6,10,15,18H,3-4,7-9,11-12H2,1-2H3,(H,19,20)
InChIKeyNXUDYEWTCIHDSQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.19
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide

2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide (PubChem CID 119557950) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
PubChem CID119557950
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
SMILESCc1ccc(OCC(=O)NCCC2CCCNC2)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-13-5-6-16(14(2)10-13)21-12-17(20)19-9-7-15-4-3-8-18-11-15/h5-6,10,15,18H,3-4,7-9,11-12H2,1-2H3,(H,19,20)
InChIKeyNXUDYEWTCIHDSQ-UHFFFAOYSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557918
2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462971
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
2-(2,4-dimethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 50947183
3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108539833
N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride
CID 119555968
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
N-(2-piperidin-3-ylethyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119555166
2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557900
2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556766
2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461053
3-(2,4-dimethylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534079

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide (CID 119557950) is 2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide is Cc1ccc(OCC(=O)NCCC2CCCNC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide?
The InChIKey is NXUDYEWTCIHDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-5-6-16(14(2)10-13)21-12-17(20)19-9-7-15-4-3-8-18-11-15/h5-6,10,15,18H,3-4,7-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide?
2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide is sourced from PubChem (CID 119557950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).