[4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate

C22H19NO4 — CID 1335028

IUPAC[4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2cccc(C(=O)N(C)c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C22H19NO4/c1-15(24)27-21-12-6-16(7-13-21)17-4-3-5-18(14-17)22(26)23(2)19-8-10-20(25)11-9-19/h3-14,25H,1-2H3
InChIKeyJXKAXVXPGMHPDN-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.26
Rot. Bonds4

About [4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate

[4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate (PubChem CID 1335028) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is [4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate
PubChem CID1335028
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name[4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2cccc(C(=O)N(C)c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C22H19NO4/c1-15(24)27-21-12-6-16(7-13-21)17-4-3-5-18(14-17)22(26)23(2)19-8-10-20(25)11-9-19/h3-14,25H,1-2H3
InChIKeyJXKAXVXPGMHPDN-UHFFFAOYSA-N
XLogP4.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate?
The IUPAC name of [4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate (CID 1335028) is [4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate.
What is the SMILES notation for [4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate?
The canonical SMILES for [4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate is CC(=O)Oc1ccc(-c2cccc(C(=O)N(C)c3ccc(O)cc3)c2)cc1.
What is the InChIKey of [4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate?
The InChIKey is JXKAXVXPGMHPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-15(24)27-21-12-6-16(7-13-21)17-4-3-5-18(14-17)22(26)23(2)19-8-10-20(25)11-9-19/h3-14,25H,1-2H3.
What are the key properties of [4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate?
[4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate has a molecular weight of 361.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl]phenyl] acetate is sourced from PubChem (CID 1335028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).