(E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide

C27H23NO2 — CID 6057021

IUPAC(E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC(Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H23NO2/c29-27(18-17-25-12-7-19-30-25)28-26(20-21-8-3-1-4-9-21)24-15-13-23(14-16-24)22-10-5-2-6-11-22/h1-19,26H,20H2,(H,28,29)/b18-17+
InChIKeyCYHUJBCVEYLXBA-ISLYRVAYSA-N
MW393.49 g/mol
LogP6.06
Rot. Bonds7

About (E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide (PubChem CID 6057021) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide
PubChem CID6057021
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC Name(E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC(Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H23NO2/c29-27(18-17-25-12-7-19-30-25)28-26(20-21-8-3-1-4-9-21)24-15-13-23(14-16-24)22-10-5-2-6-11-22/h1-19,26H,20H2,(H,28,29)/b18-17+
InChIKeyCYHUJBCVEYLXBA-ISLYRVAYSA-N
XLogP6.06
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.06
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

2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 6188146
(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide
CID 16626046
(E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide
CID 124760047
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
(E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide
CID 7936596
propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate
CID 46637717
(E)-3-(furan-2-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148362
3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid
CID 59752804
benzyl (2S)-2-[3-(furan-2-yl)prop-2-enoylamino]-4-methylpentanoate
CID 78906118
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 107564277
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide (CID 6057021) is (E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide is O=C(/C=C/c1ccco1)NC(Cc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide?
The InChIKey is CYHUJBCVEYLXBA-ISLYRVAYSA-N. The full InChI is InChI=1S/C27H23NO2/c29-27(18-17-25-12-7-19-30-25)28-26(20-21-8-3-1-4-9-21)24-15-13-23(14-16-24)22-10-5-2-6-11-22/h1-19,26H,20H2,(H,28,29)/b18-17+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide has a molecular weight of 393.49 g/mol, XLogP of 6.06, 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-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 6057021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).