(2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide

C19H21NO2 — CID 169099256

IUPAC(2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide
SMILESCc1ccc(/C=C(/C(=O)Nc2ccc(C)cc2)C(C)O)cc1
InChIInChI=1S/C19H21NO2/c1-13-4-8-16(9-5-13)12-18(15(3)21)19(22)20-17-10-6-14(2)7-11-17/h4-12,15,21H,1-3H3,(H,20,22)/b18-12+
InChIKeyIQQCOWFPKQHPDE-LDADJPATSA-N
MW295.38 g/mol
LogP3.71
Rot. Bonds4

About (2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide

(2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide (PubChem CID 169099256) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide.

Molecular Properties

Compound Name(2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide
PubChem CID169099256
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide
SMILESCc1ccc(/C=C(/C(=O)Nc2ccc(C)cc2)C(C)O)cc1
InChIInChI=1S/C19H21NO2/c1-13-4-8-16(9-5-13)12-18(15(3)21)19(22)20-17-10-6-14(2)7-11-17/h4-12,15,21H,1-3H3,(H,20,22)/b18-12+
InChIKeyIQQCOWFPKQHPDE-LDADJPATSA-N
XLogP3.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-acetamidophenyl)-2-cyano-3-(4-methylphenyl)prop-2-enamide
CID 7945801
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 7911783
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide
CID 7265065
4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]benzoic acid
CID 957163
3-(4-tert-butylphenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 4542593
2-hydroxypropanoic acid;1-(4-methylphenyl)prop-1-en-2-amine
CID 70632624
N-(4-methylphenyl)acetamide
CID 7684
4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide
CID 53349566
2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide
CID 88971335
2-bromo-3-methyl-N-(4-methylphenyl)butanamide
CID 24690960
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide
CID 87895075
4-methyl-N-[(E)-3-(4-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6060583

Frequently Asked Questions

What is the IUPAC name of (2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide?
The IUPAC name of (2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide (CID 169099256) is (2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide.
What is the SMILES notation for (2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide?
The canonical SMILES for (2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide is Cc1ccc(/C=C(/C(=O)Nc2ccc(C)cc2)C(C)O)cc1.
What is the InChIKey of (2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide?
The InChIKey is IQQCOWFPKQHPDE-LDADJPATSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13-4-8-16(9-5-13)12-18(15(3)21)19(22)20-17-10-6-14(2)7-11-17/h4-12,15,21H,1-3H3,(H,20,22)/b18-12+.
What are the key properties of (2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide?
(2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide has a molecular weight of 295.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide is sourced from PubChem (CID 169099256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).