(E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide

C20H17NO3 — CID 6281279

IUPAC(E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(Cc1ccco1)c1ccc(O)cc1
InChIInChI=1S/C20H17NO3/c22-18-11-9-17(10-12-18)21(15-19-7-4-14-24-19)20(23)13-8-16-5-2-1-3-6-16/h1-14,22H,15H2/b13-8+
InChIKeyMXSZWWGFYGSYCK-MDWZMJQESA-N
MW319.36 g/mol
LogP4.23
Rot. Bonds5

About (E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide

(E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide (PubChem CID 6281279) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide
PubChem CID6281279
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(Cc1ccco1)c1ccc(O)cc1
InChIInChI=1S/C20H17NO3/c22-18-11-9-17(10-12-18)21(15-19-7-4-14-24-19)20(23)13-8-16-5-2-1-3-6-16/h1-14,22H,15H2/b13-8+
InChIKeyMXSZWWGFYGSYCK-MDWZMJQESA-N
XLogP4.23
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 772554
(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 18830821
(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
CID 6132853
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 4580452
(E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide
CID 46046494
4-[acetyl(furan-2-ylmethyl)amino]benzoic acid
CID 39359965
N-benzyl-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 71957748
(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 84552100
2-amino-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 39364356
2-amino-N-(4-bromophenyl)-N-(furan-2-ylmethyl)acetamide
CID 39445117
3-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76908318
(Z)-N-(furan-2-ylmethyl)-3-phenyl-N-[(Z)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 7323739

Frequently Asked Questions

What is the IUPAC name of (E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide (CID 6281279) is (E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N(Cc1ccco1)c1ccc(O)cc1.
What is the InChIKey of (E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide?
The InChIKey is MXSZWWGFYGSYCK-MDWZMJQESA-N. The full InChI is InChI=1S/C20H17NO3/c22-18-11-9-17(10-12-18)21(15-19-7-4-14-24-19)20(23)13-8-16-5-2-1-3-6-16/h1-14,22H,15H2/b13-8+.
What are the key properties of (E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide?
(E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide has a molecular weight of 319.36 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 6281279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).