(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide

C20H18N2O2 — CID 108744999

IUPAC(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
SMILESCc1ccc(Nc2ccccc2NC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C20H18N2O2/c1-15-8-10-16(11-9-15)21-18-6-2-3-7-19(18)22-20(23)13-12-17-5-4-14-24-17/h2-14,21H,1H3,(H,22,23)/b13-12+
InChIKeyRSGBQELIENFCOW-OUKQBFOZSA-N
MW318.38 g/mol
LogP4.98
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide (PubChem CID 108744999) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
PubChem CID108744999
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
SMILESCc1ccc(Nc2ccccc2NC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C20H18N2O2/c1-15-8-10-16(11-9-15)21-18-6-2-3-7-19(18)22-20(23)13-12-17-5-4-14-24-17/h2-14,21H,1H3,(H,22,23)/b13-12+
InChIKeyRSGBQELIENFCOW-OUKQBFOZSA-N
XLogP4.98
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.98
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

(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide
CID 8874178
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(E)-3-(furan-2-yl)-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 122286682
(E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 108767317
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
(E)-N-[2-(4-methylanilino)phenyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108745072
3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide
CID 71961262
4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
CID 58191486
(E)-3-(4-ethoxyphenyl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108767339
N-[2-(4-methylanilino)phenyl]acetamide
CID 21106134

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide (CID 108744999) is (E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide is Cc1ccc(Nc2ccccc2NC(=O)/C=C/c2ccco2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide?
The InChIKey is RSGBQELIENFCOW-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-15-8-10-16(11-9-15)21-18-6-2-3-7-19(18)22-20(23)13-12-17-5-4-14-24-17/h2-14,21H,1H3,(H,22,23)/b13-12+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide has a molecular weight of 318.38 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide is sourced from PubChem (CID 108744999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).