2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide

C17H15NO2 — CID 66691200

IUPAC2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccc(C#Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H15NO2/c1-12(17(18)20)15-8-4-13(5-9-15)2-3-14-6-10-16(19)11-7-14/h4-12,19H,1H3,(H2,18,20)
InChIKeyPTSMRUNGOHKOQR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.38
Rot. Bonds2

About 2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide

2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide (PubChem CID 66691200) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide.

Molecular Properties

Compound Name2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide
PubChem CID66691200
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccc(C#Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H15NO2/c1-12(17(18)20)15-8-4-13(5-9-15)2-3-14-6-10-16(19)11-7-14/h4-12,19H,1H3,(H2,18,20)
InChIKeyPTSMRUNGOHKOQR-UHFFFAOYSA-N
XLogP2.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide
CID 139557591
phosphanyl 2-(4-hydroxyphenyl)propanoate
CID 121404304
(2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 86330548
molecular hydrogen;(2S)-2-phenylpropanamide
CID 143947719
(2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide
CID 154255414
2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide
CID 15942070
(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine
CID 162087543
2-(4-butylphenyl)propanamide
CID 90926449
1-hydroxy-1-[1-[4-(2-thiophen-3-ylethynyl)phenyl]ethyl]urea
CID 15181444
(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 59136415
(2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate
CID 21326469
2-[4-(2-methylphenyl)phenyl]propanamide
CID 155097671

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide?
The IUPAC name of 2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide (CID 66691200) is 2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide.
What is the SMILES notation for 2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide?
The canonical SMILES for 2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide is CC(C(N)=O)c1ccc(C#Cc2ccc(O)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide?
The InChIKey is PTSMRUNGOHKOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12(17(18)20)15-8-4-13(5-9-15)2-3-14-6-10-16(19)11-7-14/h4-12,19H,1H3,(H2,18,20).
What are the key properties of 2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide?
2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide has a molecular weight of 265.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide is sourced from PubChem (CID 66691200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).