N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide

C12H15NO3 — CID 169465296

IUPACN-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide
SMILESCOc1cc(C=CCNC(C)=O)ccc1O
InChIInChI=1S/C12H15NO3/c1-9(14)13-7-3-4-10-5-6-11(15)12(8-10)16-2/h3-6,8,15H,7H2,1-2H3,(H,13,14)
InChIKeyBEMSOJUVSAOVOB-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.55
Rot. Bonds4

About N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide

N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide (PubChem CID 169465296) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide
PubChem CID169465296
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide
SMILESCOc1cc(C=CCNC(C)=O)ccc1O
InChIInChI=1S/C12H15NO3/c1-9(14)13-7-3-4-10-5-6-11(15)12(8-10)16-2/h3-6,8,15H,7H2,1-2H3,(H,13,14)
InChIKeyBEMSOJUVSAOVOB-UHFFFAOYSA-N
XLogP1.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
N-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]acetamide
CID 21422515
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;silver
CID 174575212
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 23625459
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
[(E)-4-(4-hydroxy-3-methoxyphenyl)but-3-enyl] acetate
CID 23725772
CID 174827534
CID 174827534
N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465555
N-(4-acetamidobutyl)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide
CID 57154622
methyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169465710

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide (CID 169465296) is N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide is COc1cc(C=CCNC(C)=O)ccc1O.
What is the InChIKey of N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide?
The InChIKey is BEMSOJUVSAOVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(14)13-7-3-4-10-5-6-11(15)12(8-10)16-2/h3-6,8,15H,7H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide?
N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide has a molecular weight of 221.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).