[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate

C25H23NO4 — CID 1407145

IUPAC[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate
SMILESC=CCc1ccccc1OCC(=O)Oc1ccc(C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C25H23NO4/c1-3-6-19-7-4-5-8-23(19)29-17-24(27)30-22-15-11-20(12-16-22)25(28)26-21-13-9-18(2)10-14-21/h3-5,7-16H,1,6,17H2,2H3,(H,26,28)
InChIKeyFDKUFWPDPPKCBG-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.96
Rot. Bonds8

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

[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate (PubChem CID 1407145) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate.

Molecular Properties

Compound Name[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate
PubChem CID1407145
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate
SMILESC=CCc1ccccc1OCC(=O)Oc1ccc(C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C25H23NO4/c1-3-6-19-7-4-5-8-23(19)29-17-24(27)30-22-15-11-20(12-16-22)25(28)26-21-13-9-18(2)10-14-21/h3-5,7-16H,1,6,17H2,2H3,(H,26,28)
InChIKeyFDKUFWPDPPKCBG-UHFFFAOYSA-N
XLogP4.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.96
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-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate
CID 1407155
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate
CID 19180303
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate
CID 1193357
N-(4-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407019
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate
CID 19180167
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-bromophenoxy)acetate
CID 1193360
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate
CID 19180132
(4-benzamidophenyl) 2-(2-cyanophenoxy)acetate
CID 8917446
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597
N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide
CID 7707159
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 19180152

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate?
The IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate (CID 1407145) is [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate.
What is the SMILES notation for [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate?
The canonical SMILES for [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate is C=CCc1ccccc1OCC(=O)Oc1ccc(C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate?
The InChIKey is FDKUFWPDPPKCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-3-6-19-7-4-5-8-23(19)29-17-24(27)30-22-15-11-20(12-16-22)25(28)26-21-13-9-18(2)10-14-21/h3-5,7-16H,1,6,17H2,2H3,(H,26,28).
What are the key properties of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate?
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate has a molecular weight of 401.46 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate is sourced from PubChem (CID 1407145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).