2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide

C18H22N2O4 — CID 22750171

IUPAC2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide
SMILESNC(=O)Cc1ccc(OCCNCC(O)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H22N2O4/c19-18(23)11-13-1-7-16(8-2-13)24-10-9-20-12-17(22)14-3-5-15(21)6-4-14/h1-8,17,20-22H,9-12H2,(H2,19,23)
InChIKeyUWKHRKOOMJCTNI-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.12
Rot. Bonds9

About 2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide

2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide (PubChem CID 22750171) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide
PubChem CID22750171
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide
SMILESNC(=O)Cc1ccc(OCCNCC(O)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H22N2O4/c19-18(23)11-13-1-7-16(8-2-13)24-10-9-20-12-17(22)14-3-5-15(21)6-4-14/h1-8,17,20-22H,9-12H2,(H2,19,23)
InChIKeyUWKHRKOOMJCTNI-UHFFFAOYSA-N
XLogP1.12
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.12
H-Bond Donors ≤ 54
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-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide
CID 54157516
2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethoxy]phenyl]acetamide;hydrochloride
CID 67791193
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid chloride
CID 71297113
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-acetamido-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide
CID 23295221
2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide
CID 23276135
2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate
CID 83209205
2-[4-[2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]ethoxy]phenyl]acetic acid
CID 18434378
2-(4-hydroxyphenyl)acetamide;dihydrate
CID 174796457
2-[[2-(4-hydroxyphenoxy)ethylamino]methyl]butanoic acid
CID 158395144
2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol
CID 82314072
2-(pentylamino)-1-(4-propoxyphenyl)ethanol
CID 82314080

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide?
The IUPAC name of 2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide (CID 22750171) is 2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide is NC(=O)Cc1ccc(OCCNCC(O)c2ccc(O)cc2)cc1.
What is the InChIKey of 2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide?
The InChIKey is UWKHRKOOMJCTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c19-18(23)11-13-1-7-16(8-2-13)24-10-9-20-12-17(22)14-3-5-15(21)6-4-14/h1-8,17,20-22H,9-12H2,(H2,19,23).
What are the key properties of 2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide?
2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide has a molecular weight of 330.38 g/mol, XLogP of 1.12, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide is sourced from PubChem (CID 22750171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).