2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide

C22H28N2O4 — CID 121141474

IUPAC2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
SMILESCCOc1ccc(OCC(=O)Nc2ccc(N3CCCC(OC)C3)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-3-27-19-10-12-20(13-11-19)28-16-22(25)23-17-6-8-18(9-7-17)24-14-4-5-21(15-24)26-2/h6-13,21H,3-5,14-16H2,1-2H3,(H,23,25)
InChIKeyDYDAYKMKPMTCKV-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.72
Rot. Bonds8

About 2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide

2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide (PubChem CID 121141474) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
PubChem CID121141474
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
SMILESCCOc1ccc(OCC(=O)Nc2ccc(N3CCCC(OC)C3)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-3-27-19-10-12-20(13-11-19)28-16-22(25)23-17-6-8-18(9-7-17)24-14-4-5-21(15-24)26-2/h6-13,21H,3-5,14-16H2,1-2H3,(H,23,25)
InChIKeyDYDAYKMKPMTCKV-UHFFFAOYSA-N
XLogP3.72
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427785
2-(4-fluorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141438
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
2-(2-methoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141457
4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 121141816
2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141679
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-phenylmethoxyphenyl)propanamide
CID 121141530
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 71809763
3-(4-cyanophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 71809777
3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide
CID 97427806

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide (CID 121141474) is 2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide is CCOc1ccc(OCC(=O)Nc2ccc(N3CCCC(OC)C3)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
The InChIKey is DYDAYKMKPMTCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-3-27-19-10-12-20(13-11-19)28-16-22(25)23-17-6-8-18(9-7-17)24-14-4-5-21(15-24)26-2/h6-13,21H,3-5,14-16H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 121141474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).