2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide

C20H26N4O4 — CID 23295221

IUPAC2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(OCCNCC(O)c2ccc(NC(C)=O)nc2)cc1
InChIInChI=1S/C20H26N4O4/c1-14(25)24-19-8-5-16(12-23-19)18(26)13-22-9-10-28-17-6-3-15(4-7-17)11-20(27)21-2/h3-8,12,18,22,26H,9-11,13H2,1-2H3,(H,21,27)(H,23,24,25)
InChIKeyZLXJDOMBCYJJFJ-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.03
Rot. Bonds10

About 2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide

2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide (PubChem CID 23295221) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide
PubChem CID23295221
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(OCCNCC(O)c2ccc(NC(C)=O)nc2)cc1
InChIInChI=1S/C20H26N4O4/c1-14(25)24-19-8-5-16(12-23-19)18(26)13-22-9-10-28-17-6-3-15(4-7-17)11-20(27)21-2/h3-8,12,18,22,26H,9-11,13H2,1-2H3,(H,21,27)(H,23,24,25)
InChIKeyZLXJDOMBCYJJFJ-UHFFFAOYSA-N
XLogP1.03
TPSA112.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[[(2R)-2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide
CID 59970246
2-[4-[2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]ethoxy]phenyl]acetic acid
CID 18434378
2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide
CID 22750171
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid chloride
CID 71297113
N-[5-[(1S)-1-hydroxypropyl]-2-pyridinyl]acetamide
CID 54369170
2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide
CID 54157516
N-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide
CID 59063644
1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol
CID 20636847
2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethoxy]phenyl]acetamide;hydrochloride
CID 67791193
N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82313978
2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide
CID 88991365
2-[4-[2-[(2-acetyloxy-2-phenylethyl)amino]ethoxy]phenyl]acetic acid
CID 18997241

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide (CID 23295221) is 2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(OCCNCC(O)c2ccc(NC(C)=O)nc2)cc1.
What is the InChIKey of 2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide?
The InChIKey is ZLXJDOMBCYJJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-14(25)24-19-8-5-16(12-23-19)18(26)13-22-9-10-28-17-6-3-15(4-7-17)11-20(27)21-2/h3-8,12,18,22,26H,9-11,13H2,1-2H3,(H,21,27)(H,23,24,25).
What are the key properties of 2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide?
2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide has a molecular weight of 386.45 g/mol, XLogP of 1.03, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide is sourced from PubChem (CID 23295221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).