(E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide

C24H20N2O — CID 2095128

IUPAC(E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide
SMILESC[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H20N2O/c1-18(20-8-4-2-5-9-20)26-24(27)23(17-25)16-19-12-14-22(15-13-19)21-10-6-3-7-11-21/h2-16,18H,1H3,(H,26,27)/b23-16+/t18-/m0/s1
InChIKeyKNYFOZDMDGOSDQ-RPNTZMPASA-N
MW352.44 g/mol
LogP5.14
Rot. Bonds5

About (E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide

(E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide (PubChem CID 2095128) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is (E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide
PubChem CID2095128
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name(E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide
SMILESC[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H20N2O/c1-18(20-8-4-2-5-9-20)26-24(27)23(17-25)16-19-12-14-22(15-13-19)21-10-6-3-7-11-21/h2-16,18H,1H3,(H,26,27)/b23-16+/t18-/m0/s1
InChIKeyKNYFOZDMDGOSDQ-RPNTZMPASA-N
XLogP5.14
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 99822584
(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
2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 6710706
(Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide
CID 94841504
(Z)-3-(3-bromo-4-hydroxyphenyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7275658
(Z)-2-cyano-3-[4-[(4-methylphenyl)methoxy]phenyl]-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 124646685
(Z)-3-(3-bromophenyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 40600136
(Z)-2-cyano-3-(2-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 94841508
(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 2378066
2-cyano-3-(4-hexoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
CID 4129645
(E)-2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)-N-(1-phenylethyl)prop-2-enamide
CID 6196888

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide (CID 2095128) is (E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide is C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide?
The InChIKey is KNYFOZDMDGOSDQ-RPNTZMPASA-N. The full InChI is InChI=1S/C24H20N2O/c1-18(20-8-4-2-5-9-20)26-24(27)23(17-25)16-19-12-14-22(15-13-19)21-10-6-3-7-11-21/h2-16,18H,1H3,(H,26,27)/b23-16+/t18-/m0/s1.
What are the key properties of (E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide?
(E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide has a molecular weight of 352.44 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide is sourced from PubChem (CID 2095128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).