2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide

C19H19NO3 — CID 52920702

IUPAC2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide
SMILESCc1ccc(C)c(/C=C/C(=O)c2ccc(OCC(N)=O)cc2)c1
InChIInChI=1S/C19H19NO3/c1-13-3-4-14(2)16(11-13)7-10-18(21)15-5-8-17(9-6-15)23-12-19(20)22/h3-11H,12H2,1-2H3,(H2,20,22)/b10-7+
InChIKeyGDRXLIJPIMKIAM-JXMROGBWSA-N
MW309.37 g/mol
LogP3.06
Rot. Bonds6

About 2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide

2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide (PubChem CID 52920702) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide
PubChem CID52920702
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide
SMILESCc1ccc(C)c(/C=C/C(=O)c2ccc(OCC(N)=O)cc2)c1
InChIInChI=1S/C19H19NO3/c1-13-3-4-14(2)16(11-13)7-10-18(21)15-5-8-17(9-6-15)23-12-19(20)22/h3-11H,12H2,1-2H3,(H2,20,22)/b10-7+
InChIKeyGDRXLIJPIMKIAM-JXMROGBWSA-N
XLogP3.06
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide
CID 52921022
methyl 2-[4-[3-(2,4-dimethylphenyl)prop-2-enoyl]phenoxy]acetate
CID 76877741
3-(2,5-dimethylphenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 5186975
2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921217
3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one
CID 75891212
3-(2,5-dimethylphenyl)-1-(4-ethylsulfanylphenyl)prop-2-en-1-one
CID 67828244
2-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921216
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921212
2-[4-[(E)-3-(2,3,6-trichlorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52920629
4-[3-(2,5-dimethylphenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 4015705
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678370
(E)-1-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one
CID 7947875

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide (CID 52920702) is 2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide is Cc1ccc(C)c(/C=C/C(=O)c2ccc(OCC(N)=O)cc2)c1.
What is the InChIKey of 2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide?
The InChIKey is GDRXLIJPIMKIAM-JXMROGBWSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13-3-4-14(2)16(11-13)7-10-18(21)15-5-8-17(9-6-15)23-12-19(20)22/h3-11H,12H2,1-2H3,(H2,20,22)/b10-7+.
What are the key properties of 2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide?
2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide has a molecular weight of 309.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide is sourced from PubChem (CID 52920702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).