(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide

C18H16N2O — CID 99822584

IUPAC(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
SMILESC[C@H](NC(=O)/C(C#N)=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O/c1-14(16-10-6-3-7-11-16)20-18(21)17(13-19)12-15-8-4-2-5-9-15/h2-12,14H,1H3,(H,20,21)/b17-12-/t14-/m0/s1
InChIKeyKYKHXWJYXRFVHT-VMOJBDSFSA-N
MW276.34 g/mol
LogP3.47
Rot. Bonds4

About (Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide

(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide (PubChem CID 99822584) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
PubChem CID99822584
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
SMILESC[C@H](NC(=O)/C(C#N)=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O/c1-14(16-10-6-3-7-11-16)20-18(21)17(13-19)12-15-8-4-2-5-9-15/h2-12,14H,1H3,(H,20,21)/b17-12-/t14-/m0/s1
InChIKeyKYKHXWJYXRFVHT-VMOJBDSFSA-N
XLogP3.47
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.47
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

(E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide
CID 2095128
(E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 18775922
(Z)-3-(3-bromophenyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 40600136
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)-2-cyano-3-(2-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 94841508
(Z)-3-(3-bromo-4-hydroxyphenyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7275658
(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 40543296
(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 2378066
(E)-2-cyano-N-(1-phenylethyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 6087867
2-cyano-3-(4-hexoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
CID 4129645

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide (CID 99822584) is (Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide is C[C@H](NC(=O)/C(C#N)=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide?
The InChIKey is KYKHXWJYXRFVHT-VMOJBDSFSA-N. The full InChI is InChI=1S/C18H16N2O/c1-14(16-10-6-3-7-11-16)20-18(21)17(13-19)12-15-8-4-2-5-9-15/h2-12,14H,1H3,(H,20,21)/b17-12-/t14-/m0/s1.
What are the key properties of (Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide?
(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide has a molecular weight of 276.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide is sourced from PubChem (CID 99822584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).