2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide

C22H26N2O7 — CID 108552625

IUPAC2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide
SMILESCCOc1ccccc1OCC(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1
InChIInChI=1S/C22H26N2O7/c1-2-30-18-5-3-4-6-19(18)31-13-20(27)23-15-7-9-24(10-8-15)22(29)14-11-16(25)21(28)17(26)12-14/h3-6,11-12,15,25-26,28H,2,7-10,13H2,1H3,(H,23,27)
InChIKeyKYNWTNPPHQHUSM-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.00
Rot. Bonds7

About 2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide

2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide (PubChem CID 108552625) has the molecular formula C22H26N2O7 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide
PubChem CID108552625
Molecular FormulaC22H26N2O7
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Name2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide
SMILESCCOc1ccccc1OCC(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1
InChIInChI=1S/C22H26N2O7/c1-2-30-18-5-3-4-6-19(18)31-13-20(27)23-15-7-9-24(10-8-15)22(29)14-11-16(25)21(28)17(26)12-14/h3-6,11-12,15,25-26,28H,2,7-10,13H2,1H3,(H,23,27)
InChIKeyKYNWTNPPHQHUSM-UHFFFAOYSA-N
XLogP2.00
TPSA128.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108552674
[4-[4-[[2-(2-ethoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108930343
2-(2-ethoxyphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 86907088
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
ethyl 4-oxo-4-[[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]amino]butanoate
CID 108564420
4-phenoxy-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]butanamide
CID 108553607
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556694
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
2-(2-ethylphenoxy)-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557033
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
N-[1-(2-ethoxybenzoyl)piperidin-4-yl]-2-(4-ethylphenoxy)acetamide
CID 86812515
[3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108556647

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide (CID 108552625) is 2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide is CCOc1ccccc1OCC(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide?
The InChIKey is KYNWTNPPHQHUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7/c1-2-30-18-5-3-4-6-19(18)31-13-20(27)23-15-7-9-24(10-8-15)22(29)14-11-16(25)21(28)17(26)12-14/h3-6,11-12,15,25-26,28H,2,7-10,13H2,1H3,(H,23,27).
What are the key properties of 2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide?
2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide has a molecular weight of 430.46 g/mol, XLogP of 2.00, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108552625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).