2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide

C16H15NO3 — CID 68956435

IUPAC2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C16H15NO3/c17-16(20)9-12-4-1-11(2-5-12)3-6-13-7-14(18)10-15(19)8-13/h1-8,10,18-19H,9H2,(H2,17,20)/b6-3+
InChIKeyVYKNUMXVYKRHSR-ZZXKWVIFSA-N
MW269.30 g/mol
LogP2.30
Rot. Bonds4

About 2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide

2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide (PubChem CID 68956435) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide
PubChem CID68956435
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C16H15NO3/c17-16(20)9-12-4-1-11(2-5-12)3-6-13-7-14(18)10-15(19)8-13/h1-8,10,18-19H,9H2,(H2,17,20)/b6-3+
InChIKeyVYKNUMXVYKRHSR-ZZXKWVIFSA-N
XLogP2.30
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-2-[4-(sulfanylmethyl)phenyl]ethenyl]benzene-1,3-diol
CID 87118922
2-(4-hydroxyphenyl)acetamide;dihydrate
CID 174796457
2-[4-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]phenyl]acetamide
CID 90856781
2-(4-hydroxyphenyl)acetamide;sulfuric acid
CID 155147372
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 175502826
2-[4-[(E)-2-[3,5-bis[(E)-2-[4-(carboxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]acetic acid;ethane
CID 145426208
2-[3-[(E)-2-phenylethenyl]phenyl]acetamide
CID 69082442
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
CID 25189491
(1E,6E)-1-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68551560
ethyl 2-[4-[(E)-2-[3-[(E)-2-[4-(2-ethoxy-2-oxoethyl)phenyl]ethenyl]-5-[(E)-2-[4-(2-oxopropyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]acetate
CID 135273843
2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid
CID 75052814

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide?
The IUPAC name of 2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide (CID 68956435) is 2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide is NC(=O)Cc1ccc(/C=C/c2cc(O)cc(O)c2)cc1.
What is the InChIKey of 2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide?
The InChIKey is VYKNUMXVYKRHSR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H15NO3/c17-16(20)9-12-4-1-11(2-5-12)3-6-13-7-14(18)10-15(19)8-13/h1-8,10,18-19H,9H2,(H2,17,20)/b6-3+.
What are the key properties of 2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide?
2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide has a molecular weight of 269.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide is sourced from PubChem (CID 68956435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).