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

C17H16N4O2 — CID 124760047

IUPAC(E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)N[C@@H](Cn1nccn1)c1ccccc1
InChIInChI=1S/C17H16N4O2/c22-17(9-8-15-7-4-12-23-15)20-16(13-21-18-10-11-19-21)14-5-2-1-3-6-14/h1-12,16H,13H2,(H,20,22)/b9-8+/t16-/m0/s1
InChIKeyJDJIINSSZVTQGK-FDMDGMSGSA-N
MW308.34 g/mol
LogP2.44
Rot. Bonds6

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

(E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide (PubChem CID 124760047) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide
PubChem CID124760047
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name(E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)N[C@@H](Cn1nccn1)c1ccccc1
InChIInChI=1S/C17H16N4O2/c22-17(9-8-15-7-4-12-23-15)20-16(13-21-18-10-11-19-21)14-5-2-1-3-6-14/h1-12,16H,13H2,(H,20,22)/b9-8+/t16-/m0/s1
InChIKeyJDJIINSSZVTQGK-FDMDGMSGSA-N
XLogP2.44
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148362
(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide
CID 16626046
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
(E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide
CID 6057021
(E)-3-(1,3-benzodioxol-5-yl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide
CID 121176257
propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate
CID 46637717
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 6188146
N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 107564277

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide (CID 124760047) is (E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide is O=C(/C=C/c1ccco1)N[C@@H](Cn1nccn1)c1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide?
The InChIKey is JDJIINSSZVTQGK-FDMDGMSGSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(9-8-15-7-4-12-23-15)20-16(13-21-18-10-11-19-21)14-5-2-1-3-6-14/h1-12,16H,13H2,(H,20,22)/b9-8+/t16-/m0/s1.
What are the key properties of (E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 124760047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).