2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide

C19H20N2O3 — CID 4929290

IUPAC2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)C(=Cc2ccccc2C)NC(C)=O)c1
InChIInChI=1S/C19H20N2O3/c1-13-7-4-5-8-15(13)11-18(20-14(2)22)19(23)21-16-9-6-10-17(12-16)24-3/h4-12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyQOKDBNQVDLGNOF-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.12
Rot. Bonds5

About 2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide

2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide (PubChem CID 4929290) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide
PubChem CID4929290
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)C(=Cc2ccccc2C)NC(C)=O)c1
InChIInChI=1S/C19H20N2O3/c1-13-7-4-5-8-15(13)11-18(20-14(2)22)19(23)21-16-9-6-10-17(12-16)24-3/h4-12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyQOKDBNQVDLGNOF-UHFFFAOYSA-N
XLogP3.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285888
(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 54777104
(Z)-2-acetamido-N-(4-anilinophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285895
2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929239
(Z)-2-acetamido-N-(2,3-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 19629147
2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929285
ethyl 4-[[2-acetamido-3-(2-methylphenyl)prop-2-enoyl]amino]benzoate
CID 4929280
N-[(Z)-1-(furan-2-yl)-3-(3-methoxyanilino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 100526931
(Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285918
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
(Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285905
(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 5371270

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of 2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide (CID 4929290) is 2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for 2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for 2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide is COc1cccc(NC(=O)C(=Cc2ccccc2C)NC(C)=O)c1.
What is the InChIKey of 2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is QOKDBNQVDLGNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-7-4-5-8-15(13)11-18(20-14(2)22)19(23)21-16-9-6-10-17(12-16)24-3/h4-12H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide?
2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 324.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 4929290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).