4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide

C18H28N2O3 — CID 120576787

IUPAC4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NC1CCCNC1C
InChIInChI=1S/C18H28N2O3/c1-3-22-16-9-4-5-10-17(16)23-13-7-11-18(21)20-15-8-6-12-19-14(15)2/h4-5,9-10,14-15,19H,3,6-8,11-13H2,1-2H3,(H,20,21)
InChIKeyAGPZHMSUUYWGTI-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.50
Rot. Bonds8

About 4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide

4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide (PubChem CID 120576787) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide
PubChem CID120576787
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NC1CCCNC1C
InChIInChI=1S/C18H28N2O3/c1-3-22-16-9-4-5-10-17(16)23-13-7-11-18(21)20-15-8-6-12-19-14(15)2/h4-5,9-10,14-15,19H,3,6-8,11-13H2,1-2H3,(H,20,21)
InChIKeyAGPZHMSUUYWGTI-UHFFFAOYSA-N
XLogP2.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833
3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120573713
4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120575882
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573758
2-(2-chlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575020
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide
CID 119459385
5-methoxy-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120575880
N-(2-methylpiperidin-3-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride
CID 120577924
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
N-(2-methylpiperidin-3-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120573443
2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide
CID 120576854
N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
CID 120575876

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide (CID 120576787) is 4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide is CCOc1ccccc1OCCCC(=O)NC1CCCNC1C.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide?
The InChIKey is AGPZHMSUUYWGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-22-16-9-4-5-10-17(16)23-13-7-11-18(21)20-15-8-6-12-19-14(15)2/h4-5,9-10,14-15,19H,3,6-8,11-13H2,1-2H3,(H,20,21).
What are the key properties of 4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide?
4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide has a molecular weight of 320.43 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide is sourced from PubChem (CID 120576787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).