(E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide

C20H20N2O — CID 9446969

IUPAC(E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide
SMILESCC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2)cc1
InChIInChI=1S/C20H20N2O/c1-3-15(2)17-9-11-19(12-10-17)22-20(23)18(14-21)13-16-7-5-4-6-8-16/h4-13,15H,3H2,1-2H3,(H,22,23)/b18-13+/t15-/m1/s1
InChIKeyGHRMBWHJVFXLRW-COYFKBPASA-N
MW304.39 g/mol
LogP4.75
Rot. Bonds5

About (E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide

(E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide (PubChem CID 9446969) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is (E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide
PubChem CID9446969
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name(E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide
SMILESCC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2)cc1
InChIInChI=1S/C20H20N2O/c1-3-15(2)17-9-11-19(12-10-17)22-20(23)18(14-21)13-16-7-5-4-6-8-16/h4-13,15H,3H2,1-2H3,(H,22,23)/b18-13+/t15-/m1/s1
InChIKeyGHRMBWHJVFXLRW-COYFKBPASA-N
XLogP4.75
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.75
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)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide
CID 9365750
N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 4119628
(E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide
CID 730579
ethyl 4-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 1186603
2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4983165
(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 99822584
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
CID 2378159
(E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 19169428
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
4-[[(E)-2-cyano-3-(4-phenylphenyl)prop-2-enoyl]amino]benzoic acid
CID 7912222
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 7967214
(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide
CID 177400804

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide (CID 9446969) is (E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide is CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide?
The InChIKey is GHRMBWHJVFXLRW-COYFKBPASA-N. The full InChI is InChI=1S/C20H20N2O/c1-3-15(2)17-9-11-19(12-10-17)22-20(23)18(14-21)13-16-7-5-4-6-8-16/h4-13,15H,3H2,1-2H3,(H,22,23)/b18-13+/t15-/m1/s1.
What are the key properties of (E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide?
(E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide has a molecular weight of 304.39 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide is sourced from PubChem (CID 9446969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).