N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

C23H28N2O4 — CID 18125160

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCCOc1ccc(OCCNC(=O)CN2CC=C(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-28-21-7-9-22(10-8-21)29-16-13-24-23(27)17-25-14-11-19(12-15-25)18-3-5-20(26)6-4-18/h3-11,26H,2,12-17H2,1H3,(H,24,27)
InChIKeyRSMQREATBZXRQC-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.08
Rot. Bonds9

About N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 18125160) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID18125160
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCCOc1ccc(OCCNC(=O)CN2CC=C(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-28-21-7-9-22(10-8-21)29-16-13-24-23(27)17-25-14-11-19(12-15-25)18-3-5-20(26)6-4-18/h3-11,26H,2,12-17H2,1H3,(H,24,27)
InChIKeyRSMQREATBZXRQC-UHFFFAOYSA-N
XLogP3.08
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylacetamide
CID 47129873
1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908123
N-(4-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53026936
N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9000906
N-ethyl-2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]acetamide
CID 8754275
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112803698
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109000031
2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 124742784
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 18125117
N-(2-bromophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125062
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 94506791
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8754167

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 18125160) is N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is CCOc1ccc(OCCNC(=O)CN2CC=C(c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is RSMQREATBZXRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-28-21-7-9-22(10-8-21)29-16-13-24-23(27)17-25-14-11-19(12-15-25)18-3-5-20(26)6-4-18/h3-11,26H,2,12-17H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 18125160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).