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

C16H15NO3 — CID 712905

IUPAC(E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCC(=O)c1ccc(NC(=O)/C=C/c2ccc(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)/b10-9+
InChIKeyBBGUDPSCRDUGGE-MDZDMXLPSA-N
MW269.30 g/mol
LogP3.44
Rot. Bonds4

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

(E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 712905) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID712905
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCC(=O)c1ccc(NC(=O)/C=C/c2ccc(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)/b10-9+
InChIKeyBBGUDPSCRDUGGE-MDZDMXLPSA-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

Methfuroxam
CID 34313
2,5-Dimethyl-3-furancarboxanilide
CID 34281
N-(4-methylphenyl)furan-2-carboxamide
CID 785196
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
4-amino-N-(2-methoxyphenyl)benzamide
CID 2317363
(2E)-2-cyano-3-(5-methylfuran-2-yl)-N-(3-methylphenyl)prop-2-enamide
CID 738805
N-(4-benzoylphenyl)-3-methoxybenzamide
CID 837710
3-methoxy-N-(4-methylphenyl)benzamide
CID 827641
phenyl N-(4-acetylphenyl)carbamate
CID 806009
O-Tolu-P-phenetidide
CID 710558
(2E)-N-(4-Acetylphenyl)-3-(5-ethyl-2-furyl)acrylamide
CID 7464118

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 712905) is (E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is CC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1.
What is the InChIKey of (E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is BBGUDPSCRDUGGE-MDZDMXLPSA-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)/b10-9+.
What are the key properties of (E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-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 (E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 712905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).