furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate

C23H19NO4 — CID 45069052

IUPACfuran-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate
SMILESO=C(/C=C/c1ccccc1)N/C(=C\c1ccccc1)C(=O)OCc1ccco1
InChIInChI=1S/C23H19NO4/c25-22(14-13-18-8-3-1-4-9-18)24-21(16-19-10-5-2-6-11-19)23(26)28-17-20-12-7-15-27-20/h1-16H,17H2,(H,24,25)/b14-13+,21-16-
InChIKeyDIBTZOSAKMNFKE-KNTWBIPSSA-N
MW373.41 g/mol
LogP4.19
Rot. Bonds7

About furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate

furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate (PubChem CID 45069052) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate.

Molecular Properties

Compound Namefuran-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate
PubChem CID45069052
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Namefuran-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate
SMILESO=C(/C=C/c1ccccc1)N/C(=C\c1ccccc1)C(=O)OCc1ccco1
InChIInChI=1S/C23H19NO4/c25-22(14-13-18-8-3-1-4-9-18)24-21(16-19-10-5-2-6-11-19)23(26)28-17-20-12-7-15-27-20/h1-16H,17H2,(H,24,25)/b14-13+,21-16-
InChIKeyDIBTZOSAKMNFKE-KNTWBIPSSA-N
XLogP4.19
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide
CID 2922117
[(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 98572547
(E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 155278050
furan-2-ylmethyl 3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoate
CID 1330505
(E)-N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2295931
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
N-[1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2921436
(Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 2293574
(Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid
CID 13045444
(Z)-3-(furan-2-yl)-N-(3-hydroxypropyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 7480372
furan-2-ylmethyl 3-naphthalen-2-ylprop-2-enoate
CID 801603

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate?
The IUPAC name of furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate (CID 45069052) is furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate.
What is the SMILES notation for furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate?
The canonical SMILES for furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate is O=C(/C=C/c1ccccc1)N/C(=C\c1ccccc1)C(=O)OCc1ccco1.
What is the InChIKey of furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate?
The InChIKey is DIBTZOSAKMNFKE-KNTWBIPSSA-N. The full InChI is InChI=1S/C23H19NO4/c25-22(14-13-18-8-3-1-4-9-18)24-21(16-19-10-5-2-6-11-19)23(26)28-17-20-12-7-15-27-20/h1-16H,17H2,(H,24,25)/b14-13+,21-16-.
What are the key properties of furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate?
furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate has a molecular weight of 373.41 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate is sourced from PubChem (CID 45069052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).