[4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate

C24H21NO4 — CID 1407155

IUPAC[4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate
SMILESC=CCc1ccccc1OCC(=O)Oc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H21NO4/c1-2-8-18-9-6-7-12-22(18)28-17-23(26)29-21-15-13-19(14-16-21)24(27)25-20-10-4-3-5-11-20/h2-7,9-16H,1,8,17H2,(H,25,27)
InChIKeyGZCSHMLQGIQFDR-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.65
Rot. Bonds8

About [4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate

[4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate (PubChem CID 1407155) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate
PubChem CID1407155
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name[4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate
SMILESC=CCc1ccccc1OCC(=O)Oc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H21NO4/c1-2-8-18-9-6-7-12-22(18)28-17-23(26)29-21-15-13-19(14-16-21)24(27)25-20-10-4-3-5-11-20/h2-7,9-16H,1,8,17H2,(H,25,27)
InChIKeyGZCSHMLQGIQFDR-UHFFFAOYSA-N
XLogP4.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate
CID 1407145
(4-benzamidophenyl) 2-(2-cyanophenoxy)acetate
CID 8917446
N-(4-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407019
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate
CID 19180167
N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448799
N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide
CID 7707159
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate
CID 19180303
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate
CID 19180132
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
N-(3-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407018
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
4-phenoxy-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 121131581

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate (CID 1407155) is [4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate is C=CCc1ccccc1OCC(=O)Oc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate?
The InChIKey is GZCSHMLQGIQFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-2-8-18-9-6-7-12-22(18)28-17-23(26)29-21-15-13-19(14-16-21)24(27)25-20-10-4-3-5-11-20/h2-7,9-16H,1,8,17H2,(H,25,27).
What are the key properties of [4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate?
[4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate has a molecular weight of 387.44 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate is sourced from PubChem (CID 1407155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).