N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C16H15NO3 — CID 712902

IUPACN-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCC(=O)c1ccc(NC(=O)C=Cc2ccc(C)o2)cc1
InChIInChI=1S/C16H15NO3/c1-11-3-8-15(20-11)9-10-16(19)17-14-6-4-13(5-7-14)12(2)18/h3-10H,1-2H3,(H,17,19)
InChIKeyBBGUDPSCRDUGGE-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.44
Rot. Bonds4

About N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 712902) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID712902
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCC(=O)c1ccc(NC(=O)C=Cc2ccc(C)o2)cc1
InChIInChI=1S/C16H15NO3/c1-11-3-8-15(20-11)9-10-16(19)17-14-6-4-13(5-7-14)12(2)18/h3-10H,1-2H3,(H,17,19)
InChIKeyBBGUDPSCRDUGGE-UHFFFAOYSA-N
XLogP3.44
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923472
3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 712925
(E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6314090
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 24632271
(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78783838
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
2-fluoro-4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoic acid
CID 103791438
N-[2-(dimethylamino)pyrimidin-5-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71910936

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 712902) is N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is CC(=O)c1ccc(NC(=O)C=Cc2ccc(C)o2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is BBGUDPSCRDUGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-3-8-15(20-11)9-10-16(19)17-14-6-4-13(5-7-14)12(2)18/h3-10H,1-2H3,(H,17,19).
What are the key properties of N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 269.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 712902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).