N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide

C20H21NO3 — CID 166453549

IUPACN-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide
SMILESC=CCc1cc(NC(C)=O)c(O)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C20H21NO3/c1-4-6-14-10-17(20(24)18(11-14)21-13(3)22)15-8-9-19(23)16(12-15)7-5-2/h4-5,8-12,23-24H,1-2,6-7H2,3H3,(H,21,22)
InChIKeyXBHLVODOLCEMPS-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.18
Rot. Bonds6

About N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide

N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide (PubChem CID 166453549) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide
PubChem CID166453549
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide
SMILESC=CCc1cc(NC(C)=O)c(O)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C20H21NO3/c1-4-6-14-10-17(20(24)18(11-14)21-13(3)22)15-8-9-19(23)16(12-15)7-5-2/h4-5,8-12,23-24H,1-2,6-7H2,3H3,(H,21,22)
InChIKeyXBHLVODOLCEMPS-UHFFFAOYSA-N
XLogP4.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide?
The IUPAC name of N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide (CID 166453549) is N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide?
The canonical SMILES for N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide is C=CCc1cc(NC(C)=O)c(O)c(-c2ccc(O)c(CC=C)c2)c1.
What is the InChIKey of N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide?
The InChIKey is XBHLVODOLCEMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-6-14-10-17(20(24)18(11-14)21-13(3)22)15-8-9-19(23)16(12-15)7-5-2/h4-5,8-12,23-24H,1-2,6-7H2,3H3,(H,21,22).
What are the key properties of N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide?
N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide has a molecular weight of 323.39 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide is sourced from PubChem (CID 166453549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).