(E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide

C24H25NO2 — CID 92684194

IUPAC(E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide
SMILESCC(C)C[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO2/c1-18(2)16-23(20-12-7-4-8-13-20)25-24(26)22(17-21-14-9-15-27-21)19-10-5-3-6-11-19/h3-15,17-18,23H,16H2,1-2H3,(H,25,26)/b22-17+/t23-/m1/s1
InChIKeyBMEUYFGQUSQEES-YHBLIXGUSA-N
MW359.47 g/mol
LogP5.72
Rot. Bonds7

About (E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide

(E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide (PubChem CID 92684194) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide
PubChem CID92684194
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide
SMILESCC(C)C[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO2/c1-18(2)16-23(20-12-7-4-8-13-20)25-24(26)22(17-21-14-9-15-27-21)19-10-5-3-6-11-19/h3-15,17-18,23H,16H2,1-2H3,(H,25,26)/b22-17+/t23-/m1/s1
InChIKeyBMEUYFGQUSQEES-YHBLIXGUSA-N
XLogP5.72
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-methylbutyl)-2-phenylprop-2-enamide
CID 6389358
N-[(Z)-1-(furan-2-yl)-3-[[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]amino]-3-oxoprop-1-en-2-yl]benzamide
CID 100666620
N-[(Z)-1-(furan-2-yl)-3-[[(1R)-3-methyl-1-phenylbutyl]amino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100750495
(E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide
CID 43886752
(E)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2,3-diphenylprop-2-enamide
CID 99959671
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
N-[(Z)-1-(furan-2-yl)-3-(4-methylpentylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 86942346
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenylpropylamino)prop-1-en-2-yl]benzamide
CID 133218762
3-(furan-2-yl)-2-phenylprop-2-enamide
CID 1281215
(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 40543296
ethyl (Z)-3-(furan-2-yl)-2-phenylprop-2-enoate
CID 170872169
N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 5344061

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide (CID 92684194) is (E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide is CC(C)C[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide?
The InChIKey is BMEUYFGQUSQEES-YHBLIXGUSA-N. The full InChI is InChI=1S/C24H25NO2/c1-18(2)16-23(20-12-7-4-8-13-20)25-24(26)22(17-21-14-9-15-27-21)19-10-5-3-6-11-19/h3-15,17-18,23H,16H2,1-2H3,(H,25,26)/b22-17+/t23-/m1/s1.
What are the key properties of (E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide?
(E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide has a molecular weight of 359.47 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide is sourced from PubChem (CID 92684194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).