(E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide

C16H15NO3 — CID 89317529

IUPAC(E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2)c(O)c1
InChIInChI=1S/C16H15NO3/c1-20-14-9-7-12(15(18)11-14)8-10-16(19)17-13-5-3-2-4-6-13/h2-11,18H,1H3,(H,17,19)/b10-8+
InChIKeyKHTWPGPVCHAYES-CSKARUKUSA-N
MW269.30 g/mol
LogP3.05
Rot. Bonds4

About (E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide

(E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide (PubChem CID 89317529) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide
PubChem CID89317529
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2)c(O)c1
InChIInChI=1S/C16H15NO3/c1-20-14-9-7-12(15(18)11-14)8-10-16(19)17-13-5-3-2-4-6-13/h2-11,18H,1H3,(H,17,19)/b10-8+
InChIKeyKHTWPGPVCHAYES-CSKARUKUSA-N
XLogP3.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 67082878
(E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 8713738
3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 29331459
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
3-(2-hydroxy-4-methoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 70432171
(E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide
CID 59443460
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 4989613
(E)-N-[4-(phenylcarbamoylamino)phenyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 30779967
3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 868727
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
1-(2-hydroxy-4-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68553838

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide (CID 89317529) is (E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccccc2)c(O)c1.
What is the InChIKey of (E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide?
The InChIKey is KHTWPGPVCHAYES-CSKARUKUSA-N. The full InChI is InChI=1S/C16H15NO3/c1-20-14-9-7-12(15(18)11-14)8-10-16(19)17-13-5-3-2-4-6-13/h2-11,18H,1H3,(H,17,19)/b10-8+.
What are the key properties of (E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide?
(E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide has a molecular weight of 269.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide is sourced from PubChem (CID 89317529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).