(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide

C28H24N2O4 — CID 6132853

IUPAC(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccco1)N(CCN(C(=O)/C=C/c1ccco1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24N2O4/c31-27(17-15-25-13-7-21-33-25)29(23-9-3-1-4-10-23)19-20-30(24-11-5-2-6-12-24)28(32)18-16-26-14-8-22-34-26/h1-18,21-22H,19-20H2/b17-15+,18-16+
InChIKeyJMNMZVHYWGGGQB-YTEMWHBBSA-N
MW452.51 g/mol
LogP5.67
Rot. Bonds9

About (E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide

(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide (PubChem CID 6132853) has the molecular formula C28H24N2O4 and a molecular weight of 452.51 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
PubChem CID6132853
Molecular FormulaC28H24N2O4
Molecular Weight452.51 g/mol
Exact Mass452.17
IUPAC Name(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccco1)N(CCN(C(=O)/C=C/c1ccco1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24N2O4/c31-27(17-15-25-13-7-21-33-25)29(23-9-3-1-4-10-23)19-20-30(24-11-5-2-6-12-24)28(32)18-16-26-14-8-22-34-26/h1-18,21-22H,19-20H2/b17-15+,18-16+
InChIKeyJMNMZVHYWGGGQB-YTEMWHBBSA-N
XLogP5.67
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 2920998
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
(E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide
CID 107366136
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6000305
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide
CID 18276874
(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
CID 92904073
CID 59090942
CID 59090942
(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide
CID 70870521
2-[3-(furan-2-yl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79256893
2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide
CID 6146088

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide (CID 6132853) is (E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide is O=C(/C=C/c1ccco1)N(CCN(C(=O)/C=C/c1ccco1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide?
The InChIKey is JMNMZVHYWGGGQB-YTEMWHBBSA-N. The full InChI is InChI=1S/C28H24N2O4/c31-27(17-15-25-13-7-21-33-25)29(23-9-3-1-4-10-23)19-20-30(24-11-5-2-6-12-24)28(32)18-16-26-14-8-22-34-26/h1-18,21-22H,19-20H2/b17-15+,18-16+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide?
(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide has a molecular weight of 452.51 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide is sourced from PubChem (CID 6132853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).