(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C14H13NO3 — CID 78783838

IUPAC(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(O)c2)o1
InChIInChI=1S/C14H13NO3/c1-10-5-6-13(18-10)7-8-14(17)15-11-3-2-4-12(16)9-11/h2-9,16H,1H3,(H,15,17)/b8-7+
InChIKeyWIQJPYREOMAABG-BQYQJAHWSA-N
MW243.26 g/mol
LogP2.95
Rot. Bonds3

About (E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 78783838) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is (E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID78783838
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(O)c2)o1
InChIInChI=1S/C14H13NO3/c1-10-5-6-13(18-10)7-8-14(17)15-11-3-2-4-12(16)9-11/h2-9,16H,1H3,(H,15,17)/b8-7+
InChIKeyWIQJPYREOMAABG-BQYQJAHWSA-N
XLogP2.95
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.95
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

(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 24632271
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 2665588
3-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875057
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 27334787
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate
CID 76870592
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459
N,N'-bis(3-hydroxyphenyl)but-2-enediamide
CID 754651
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 896719
N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923476
(E)-3-(5-methylfuran-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 26592569

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 78783838) is (E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cccc(O)c2)o1.
What is the InChIKey of (E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is WIQJPYREOMAABG-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-5-6-13(18-10)7-8-14(17)15-11-3-2-4-12(16)9-11/h2-9,16H,1H3,(H,15,17)/b8-7+.
What are the key properties of (E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 243.26 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 78783838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).