2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide

C19H24N2O3 — CID 54157516

IUPAC2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide
SMILESCc1cccc(C(O)CNCCOc2ccc(CC(N)=O)cc2)c1
InChIInChI=1S/C19H24N2O3/c1-14-3-2-4-16(11-14)18(22)13-21-9-10-24-17-7-5-15(6-8-17)12-19(20)23/h2-8,11,18,21-22H,9-10,12-13H2,1H3,(H2,20,23)
InChIKeyOMCYVBARRDJHTM-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.72
Rot. Bonds9

About 2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide

2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide (PubChem CID 54157516) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide
PubChem CID54157516
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide
SMILESCc1cccc(C(O)CNCCOc2ccc(CC(N)=O)cc2)c1
InChIInChI=1S/C19H24N2O3/c1-14-3-2-4-16(11-14)18(22)13-21-9-10-24-17-7-5-15(6-8-17)12-19(20)23/h2-8,11,18,21-22H,9-10,12-13H2,1H3,(H2,20,23)
InChIKeyOMCYVBARRDJHTM-UHFFFAOYSA-N
XLogP1.72
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethoxy]phenyl]acetamide;hydrochloride
CID 67791193
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
2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol
CID 21482954
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
2-[4-[2-[[(2R)-2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-hydroxyethyl]amino]ethoxy]phenyl]-N-methylacetamide
CID 59970246
2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide
CID 23276135
(2R)-2-[4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethoxy]phenyl]propanoic acid
CID 67790270
2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol
CID 112501466
2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol
CID 55012484
methyl 5-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethoxy]-1-benzofuran-2-carboxylate
CID 139694909
2-[4-[2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]amino]ethoxy]phenyl]acetic acid
CID 18434378

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide?
The IUPAC name of 2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide (CID 54157516) is 2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide is Cc1cccc(C(O)CNCCOc2ccc(CC(N)=O)cc2)c1.
What is the InChIKey of 2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide?
The InChIKey is OMCYVBARRDJHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-3-2-4-16(11-14)18(22)13-21-9-10-24-17-7-5-15(6-8-17)12-19(20)23/h2-8,11,18,21-22H,9-10,12-13H2,1H3,(H2,20,23).
What are the key properties of 2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide?
2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide has a molecular weight of 328.41 g/mol, XLogP of 1.72, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide is sourced from PubChem (CID 54157516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).