[4-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate

C24H20N2O6 — CID 6620659

IUPAC[4-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C24H20N2O6/c1-15(27)31-19-11-7-17(8-12-19)23(29)25-21-5-3-4-6-22(21)26-24(30)18-9-13-20(14-10-18)32-16(2)28/h3-14H,1-2H3,(H,25,29)(H,26,30)
InChIKeyAIIXVAGTSFTWIF-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.04
Rot. Bonds6

About [4-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate

[4-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate (PubChem CID 6620659) has the molecular formula C24H20N2O6 and a molecular weight of 432.43 g/mol. Its IUPAC name is [4-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
PubChem CID6620659
Molecular FormulaC24H20N2O6
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC Name[4-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C24H20N2O6/c1-15(27)31-19-11-7-17(8-12-19)23(29)25-21-5-3-4-6-22(21)26-24(30)18-9-13-20(14-10-18)32-16(2)28/h3-14H,1-2H3,(H,25,29)(H,26,30)
InChIKeyAIIXVAGTSFTWIF-UHFFFAOYSA-N
XLogP4.04
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [4-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate (CID 6620659) is [4-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [4-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC(C)=O)cc2)cc1.
What is the InChIKey of [4-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is AIIXVAGTSFTWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6/c1-15(27)31-19-11-7-17(8-12-19)23(29)25-21-5-3-4-6-22(21)26-24(30)18-9-13-20(14-10-18)32-16(2)28/h3-14H,1-2H3,(H,25,29)(H,26,30).
What are the key properties of [4-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
[4-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 432.43 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[(4-acetyloxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 6620659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).