(E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide

C18H15NO3 — CID 90549391

IUPAC(E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide
SMILESCC(=O)c1ccc(C#CCNC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C18H15NO3/c1-14(20)16-8-6-15(7-9-16)4-2-12-19-18(21)11-10-17-5-3-13-22-17/h3,5-11,13H,12H2,1H3,(H,19,21)/b11-10+
InChIKeyKCQVRXSHWWSVTG-ZHACJKMWSA-N
MW293.32 g/mol
LogP2.66
Rot. Bonds4

About (E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 90549391) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID90549391
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide
SMILESCC(=O)c1ccc(C#CCNC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C18H15NO3/c1-14(20)16-8-6-15(7-9-16)4-2-12-19-18(21)11-10-17-5-3-13-22-17/h3,5-11,13H,12H2,1H3,(H,19,21)/b11-10+
InChIKeyKCQVRXSHWWSVTG-ZHACJKMWSA-N
XLogP2.66
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide
CID 90552022
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
CID 115979782
3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide
CID 91939208
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide
CID 59509588
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide
CID 103843523
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide (CID 90549391) is (E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide is CC(=O)c1ccc(C#CCNC(=O)/C=C/c2ccco2)cc1.
What is the InChIKey of (E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is KCQVRXSHWWSVTG-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H15NO3/c1-14(20)16-8-6-15(7-9-16)4-2-12-19-18(21)11-10-17-5-3-13-22-17/h3,5-11,13H,12H2,1H3,(H,19,21)/b11-10+.
What are the key properties of (E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 293.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 90549391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).