(E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide

C22H24N2O — CID 730579

IUPAC(E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H24N2O/c1-15(2)18-7-5-17(6-8-18)13-20(14-23)22(25)24-21-11-9-19(10-12-21)16(3)4/h5-13,15-16H,1-4H3,(H,24,25)/b20-13+
InChIKeyAWPJCKPRGQUNDK-DEDYPNTBSA-N
MW332.45 g/mol
LogP5.48
Rot. Bonds5

About (E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide

(E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 730579) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID730579
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H24N2O/c1-15(2)18-7-5-17(6-8-18)13-20(14-23)22(25)24-21-11-9-19(10-12-21)16(3)4/h5-13,15-16H,1-4H3,(H,24,25)/b20-13+
InChIKeyAWPJCKPRGQUNDK-DEDYPNTBSA-N
XLogP5.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.48
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

2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4983165
ethyl 4-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 1186603
(Z)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2405063
(Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 903040
N-(3-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2790438
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
N-(2-chlorophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4083791
(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 17373348
(E)-N-[4-[(2R)-butan-2-yl]phenyl]-2-cyano-3-phenylprop-2-enamide
CID 9446969
N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 3965385
(Z)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoic acid
CID 2461727
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 7911783

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide (CID 730579) is (E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is AWPJCKPRGQUNDK-DEDYPNTBSA-N. The full InChI is InChI=1S/C22H24N2O/c1-15(2)18-7-5-17(6-8-18)13-20(14-23)22(25)24-21-11-9-19(10-12-21)16(3)4/h5-13,15-16H,1-4H3,(H,24,25)/b20-13+.
What are the key properties of (E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide?
(E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 332.45 g/mol, XLogP of 5.48, 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,3-bis(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 730579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).