(Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide

C23H20N2O3 — CID 2293574

IUPAC(Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N/C(=C\c1ccco1)C(=O)NCc1ccccc1
InChIInChI=1S/C23H20N2O3/c26-22(14-13-18-8-3-1-4-9-18)25-21(16-20-12-7-15-28-20)23(27)24-17-19-10-5-2-6-11-19/h1-16H,17H2,(H,24,27)(H,25,26)/b14-13+,21-16-
InChIKeyADIMDKORFHTBMO-KNTWBIPSSA-N
MW372.42 g/mol
LogP3.77
Rot. Bonds7

About (Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide

(Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide (PubChem CID 2293574) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is (Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
PubChem CID2293574
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name(Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N/C(=C\c1ccco1)C(=O)NCc1ccccc1
InChIInChI=1S/C23H20N2O3/c26-22(14-13-18-8-3-1-4-9-18)25-21(16-20-12-7-15-28-20)23(27)24-17-19-10-5-2-6-11-19/h1-16H,17H2,(H,24,27)(H,25,26)/b14-13+,21-16-
InChIKeyADIMDKORFHTBMO-KNTWBIPSSA-N
XLogP3.77
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.77
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

3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide
CID 2922117
(Z)-3-(furan-2-yl)-N-(3-hydroxypropyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 7480372
6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate
CID 7493238
N-[3-[(4-chlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4521478
N-[1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2921436
3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide
CID 86942349
N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 675144
N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide
CID 2929014
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2131809
N-[(Z)-1-(furan-2-yl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 86942587
(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
N-[(Z)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 2270670

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
The IUPAC name of (Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide (CID 2293574) is (Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide is O=C(/C=C/c1ccccc1)N/C(=C\c1ccco1)C(=O)NCc1ccccc1.
What is the InChIKey of (Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
The InChIKey is ADIMDKORFHTBMO-KNTWBIPSSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-22(14-13-18-8-3-1-4-9-18)25-21(16-20-12-7-15-28-20)23(27)24-17-19-10-5-2-6-11-19/h1-16H,17H2,(H,24,27)(H,25,26)/b14-13+,21-16-.
What are the key properties of (Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
(Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide has a molecular weight of 372.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide is sourced from PubChem (CID 2293574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).