N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide

C17H18N2O3 — CID 5344061

IUPACN-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
SMILESCC(C)NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-12(2)18-17(21)15(11-14-9-6-10-22-14)19-16(20)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,18,21)(H,19,20)/b15-11+
InChIKeyYUFLGYVPWUZJGY-RVDMUPIBSA-N
MW298.34 g/mol
LogP2.58
Rot. Bonds5

About N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide

N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide (PubChem CID 5344061) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
PubChem CID5344061
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
SMILESCC(C)NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-12(2)18-17(21)15(11-14-9-6-10-22-14)19-16(20)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,18,21)(H,19,20)/b15-11+
InChIKeyYUFLGYVPWUZJGY-RVDMUPIBSA-N
XLogP2.58
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.58
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

4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 103599554
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pentan-2-ylamino)prop-1-en-2-yl]benzamide
CID 133201727
N-[(Z)-3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 100586118
N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 5305148
N-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide
CID 100564310
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(1-phenoxypropan-2-ylamino)prop-1-en-2-yl]benzamide
CID 133160677
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenylpropylamino)prop-1-en-2-yl]benzamide
CID 133218762
N-[(Z)-1-(furan-2-yl)-3-(4-methylpentylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 86942346
N-[3-[[3-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-2-hydroxypropyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3821366
N-[(E)-1-(furan-2-yl)-3-oxo-3-[[(1S)-1-phenylethyl]amino]prop-1-en-2-yl]-4-methoxybenzamide
CID 7378501
N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)ethylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 133210525
N-[3-[1-(1H-benzimidazol-2-yl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 103599659

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide (CID 5344061) is N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide is CC(C)NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
The InChIKey is YUFLGYVPWUZJGY-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(2)18-17(21)15(11-14-9-6-10-22-14)19-16(20)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,18,21)(H,19,20)/b15-11+.
What are the key properties of N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 5344061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).