(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide

C24H18N2O4 — CID 1326165

IUPAC(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cccc2c(NC(=O)/C=C/c3ccco3)cccc12
InChIInChI=1S/C24H18N2O4/c27-23(13-11-17-5-3-15-29-17)25-21-9-1-7-19-20(21)8-2-10-22(19)26-24(28)14-12-18-6-4-16-30-18/h1-16H,(H,25,27)(H,26,28)/b13-11+,14-12+
InChIKeyJYTGVQZVOSGJNP-PHEQNACWSA-N
MW398.42 g/mol
LogP5.33
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide (PubChem CID 1326165) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
PubChem CID1326165
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cccc2c(NC(=O)/C=C/c3ccco3)cccc12
InChIInChI=1S/C24H18N2O4/c27-23(13-11-17-5-3-15-29-17)25-21-9-1-7-19-20(21)8-2-10-22(19)26-24(28)14-12-18-6-4-16-30-18/h1-16H,(H,25,27)(H,26,28)/b13-11+,14-12+
InChIKeyJYTGVQZVOSGJNP-PHEQNACWSA-N
XLogP5.33
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.42
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
3-(furan-2-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4799293
(E)-3-(furan-2-yl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 2668862
3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide
CID 695792
(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108744999
2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid
CID 77004994
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 26764102
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide
CID 8874178
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide (CID 1326165) is (E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide is O=C(/C=C/c1ccco1)Nc1cccc2c(NC(=O)/C=C/c3ccco3)cccc12.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide?
The InChIKey is JYTGVQZVOSGJNP-PHEQNACWSA-N. The full InChI is InChI=1S/C24H18N2O4/c27-23(13-11-17-5-3-15-29-17)25-21-9-1-7-19-20(21)8-2-10-22(19)26-24(28)14-12-18-6-4-16-30-18/h1-16H,(H,25,27)(H,26,28)/b13-11+,14-12+.
What are the key properties of (E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide has a molecular weight of 398.42 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide is sourced from PubChem (CID 1326165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).