[4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate

C20H21NO4 — CID 86960889

IUPAC[4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate
SMILESCCNC(=O)c1ccc(OC(=O)/C=C/c2cc(C)ccc2OC)cc1
InChIInChI=1S/C20H21NO4/c1-4-21-20(23)15-6-9-17(10-7-15)25-19(22)12-8-16-13-14(2)5-11-18(16)24-3/h5-13H,4H2,1-3H3,(H,21,23)/b12-8+
InChIKeyFHKWZISZCJXJJD-XYOKQWHBSA-N
MW339.39 g/mol
LogP3.37
Rot. Bonds6

About [4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate

[4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate (PubChem CID 86960889) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Name[4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate
PubChem CID86960889
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate
SMILESCCNC(=O)c1ccc(OC(=O)/C=C/c2cc(C)ccc2OC)cc1
InChIInChI=1S/C20H21NO4/c1-4-21-20(23)15-6-9-17(10-7-15)25-19(22)12-8-16-13-14(2)5-11-18(16)24-3/h5-13H,4H2,1-3H3,(H,21,23)/b12-8+
InChIKeyFHKWZISZCJXJJD-XYOKQWHBSA-N
XLogP3.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355
(4-tert-butyl-2-methylphenyl) (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 7669445
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 2672384
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]acetic acid
CID 43241711
(4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 8764873
(2-methoxy-5-methylphenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7604112
[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207721
(2-bromo-3-pyridinyl) (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 60581600
methyl 3-(2-methoxy-4-methylphenyl)prop-2-enoate
CID 74833578
methyl (E)-3-(2-methoxy-4-methylphenyl)(113C)prop-2-enoate
CID 42638371
(E)-3-(2-methoxy-5-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 9483464
2-methoxy-3-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]propanoic acid
CID 106108090

Frequently Asked Questions

What is the IUPAC name of [4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate?
The IUPAC name of [4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate (CID 86960889) is [4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate.
What is the SMILES notation for [4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate?
The canonical SMILES for [4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate is CCNC(=O)c1ccc(OC(=O)/C=C/c2cc(C)ccc2OC)cc1.
What is the InChIKey of [4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate?
The InChIKey is FHKWZISZCJXJJD-XYOKQWHBSA-N. The full InChI is InChI=1S/C20H21NO4/c1-4-21-20(23)15-6-9-17(10-7-15)25-19(22)12-8-16-13-14(2)5-11-18(16)24-3/h5-13H,4H2,1-3H3,(H,21,23)/b12-8+.
What are the key properties of [4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate?
[4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate has a molecular weight of 339.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylcarbamoyl)phenyl] (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate is sourced from PubChem (CID 86960889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).