2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide

C21H32N2O3 — CID 55949493

IUPAC2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)COc2cc(C)ccc2C)CC1
InChIInChI=1S/C21H32N2O3/c1-5-17(6-2)21(25)23-11-9-18(10-12-23)22-20(24)14-26-19-13-15(3)7-8-16(19)4/h7-8,13,17-18H,5-6,9-12,14H2,1-4H3,(H,22,24)
InChIKeyLUHRTFYOCVRINQ-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.23
Rot. Bonds7

About 2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide

2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide (PubChem CID 55949493) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide
PubChem CID55949493
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)COc2cc(C)ccc2C)CC1
InChIInChI=1S/C21H32N2O3/c1-5-17(6-2)21(25)23-11-9-18(10-12-23)22-20(24)14-26-19-13-15(3)7-8-16(19)4/h7-8,13,17-18H,5-6,9-12,14H2,1-4H3,(H,22,24)
InChIKeyLUHRTFYOCVRINQ-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560030
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560027
2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51203865
2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452617
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560021
2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551105
2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108551120
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108562484
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045
2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16544779
2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
CID 107284188

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide (CID 55949493) is 2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide is CCC(CC)C(=O)N1CCC(NC(=O)COc2cc(C)ccc2C)CC1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide?
The InChIKey is LUHRTFYOCVRINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-5-17(6-2)21(25)23-11-9-18(10-12-23)22-20(24)14-26-19-13-15(3)7-8-16(19)4/h7-8,13,17-18H,5-6,9-12,14H2,1-4H3,(H,22,24).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide?
2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide has a molecular weight of 360.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 55949493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).