N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide

C19H20N2O3 — CID 46463696

IUPACN-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cc(NC(C)=O)ccc2C)cc1
InChIInChI=1S/C19H20N2O3/c1-4-11-24-17-9-6-15(7-10-17)19(23)21-18-12-16(20-14(3)22)8-5-13(18)2/h4-10,12H,1,11H2,2-3H3,(H,20,22)(H,21,23)
InChIKeyZBELNISRRLDHEY-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.77
Rot. Bonds6

About N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide

N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide (PubChem CID 46463696) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide
PubChem CID46463696
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cc(NC(C)=O)ccc2C)cc1
InChIInChI=1S/C19H20N2O3/c1-4-11-24-17-9-6-15(7-10-17)19(23)21-18-12-16(20-14(3)22)8-5-13(18)2/h4-10,12H,1,11H2,2-3H3,(H,20,22)(H,21,23)
InChIKeyZBELNISRRLDHEY-UHFFFAOYSA-N
XLogP3.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide
CID 134043379
N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide
CID 2993485
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide
CID 46463640
N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
CID 60764705
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide
CID 4945159
3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 46410979
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide (CID 46463696) is N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2cc(NC(C)=O)ccc2C)cc1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide?
The InChIKey is ZBELNISRRLDHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-4-11-24-17-9-6-15(7-10-17)19(23)21-18-12-16(20-14(3)22)8-5-13(18)2/h4-10,12H,1,11H2,2-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide?
N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide has a molecular weight of 324.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 46463696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).