2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide

C17H15NO4 — CID 740401

IUPAC2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide
SMILESCOc1ccc(C=CC(=O)NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C17H15NO4/c1-22-13-9-6-12(7-10-13)8-11-16(20)18-17(21)14-4-2-3-5-15(14)19/h2-11,19H,1H3,(H,18,20,21)
InChIKeyUEMMJIMCTNBRGJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.37
Rot. Bonds4

About 2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide

2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide (PubChem CID 740401) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide
PubChem CID740401
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide
SMILESCOc1ccc(C=CC(=O)NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C17H15NO4/c1-22-13-9-6-12(7-10-13)8-11-16(20)18-17(21)14-4-2-3-5-15(14)19/h2-11,19H,1H3,(H,18,20,21)
InChIKeyUEMMJIMCTNBRGJ-UHFFFAOYSA-N
XLogP2.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
CID 71556433
N-[(2-hydroxyphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 871823
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
CID 71556430
2-[3-(4-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
CID 4772753
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
CID 6210684
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide
CID 101344836
N'-[3-(4-methoxyphenyl)prop-2-enoyl]-2-prop-2-enoxybenzohydrazide
CID 4929146
5-methoxy-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2-oxochromene-3-carboxamide
CID 87235008
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide?
The IUPAC name of 2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide (CID 740401) is 2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide is COc1ccc(C=CC(=O)NC(=O)c2ccccc2O)cc1.
What is the InChIKey of 2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide?
The InChIKey is UEMMJIMCTNBRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-22-13-9-6-12(7-10-13)8-11-16(20)18-17(21)14-4-2-3-5-15(14)19/h2-11,19H,1H3,(H,18,20,21).
What are the key properties of 2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide?
2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide has a molecular weight of 297.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide is sourced from PubChem (CID 740401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).