(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide

C16H14N2O2 — CID 40543296

IUPAC(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
SMILESC[C@@H](NC(=O)/C(C#N)=C\c1ccco1)c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-12(13-6-3-2-4-7-13)18-16(19)14(11-17)10-15-8-5-9-20-15/h2-10,12H,1H3,(H,18,19)/b14-10-/t12-/m1/s1
InChIKeyPZKTUROORYRIQT-XTCQQWIJSA-N
MW266.30 g/mol
LogP3.06
Rot. Bonds4

About (Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide

(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide (PubChem CID 40543296) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
PubChem CID40543296
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
SMILESC[C@@H](NC(=O)/C(C#N)=C\c1ccco1)c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-12(13-6-3-2-4-7-13)18-16(19)14(11-17)10-15-8-5-9-20-15/h2-10,12H,1H3,(H,18,19)/b14-10-/t12-/m1/s1
InChIKeyPZKTUROORYRIQT-XTCQQWIJSA-N
XLogP3.06
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-2-cyano-5-(furan-2-yl)-N-(1-phenylethyl)penta-2,4-dienamide
CID 6154562
(E)-2-cyano-3-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 840901
(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 99822584
(Z)-2-cyano-3-(2-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 94841508
(E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide
CID 2095128
(E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide
CID 43886752
(E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(1-phenylethyl)prop-2-enamide
CID 166404368
(E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 18775922
methyl 4-[(E)-2-cyano-3-oxo-3-[[(1S)-1-phenylethyl]amino]prop-1-enyl]benzoate
CID 2438064
(Z)-2-cyano-3-[5-(4-cyanophenyl)furan-2-yl]-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 126229124
2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide
CID 111447916
2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 6710706

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide (CID 40543296) is (Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide is C[C@@H](NC(=O)/C(C#N)=C\c1ccco1)c1ccccc1.
What is the InChIKey of (Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide?
The InChIKey is PZKTUROORYRIQT-XTCQQWIJSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12(13-6-3-2-4-7-13)18-16(19)14(11-17)10-15-8-5-9-20-15/h2-10,12H,1H3,(H,18,19)/b14-10-/t12-/m1/s1.
What are the key properties of (Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide?
(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide has a molecular weight of 266.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide is sourced from PubChem (CID 40543296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).