[4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate

C17H18N2O4 — CID 22762252

IUPAC[4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate
SMILESCC(C)c1ccc(C(=O)Oc2ccc(NC(=O)NO)cc2)cc1
InChIInChI=1S/C17H18N2O4/c1-11(2)12-3-5-13(6-4-12)16(20)23-15-9-7-14(8-10-15)18-17(21)19-22/h3-11,22H,1-2H3,(H2,18,19,21)
InChIKeyQJQLRNNZTVAZRS-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.54
Rot. Bonds4

About [4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate

[4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate (PubChem CID 22762252) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is [4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate.

Molecular Properties

Compound Name[4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate
PubChem CID22762252
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name[4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate
SMILESCC(C)c1ccc(C(=O)Oc2ccc(NC(=O)NO)cc2)cc1
InChIInChI=1S/C17H18N2O4/c1-11(2)12-3-5-13(6-4-12)16(20)23-15-9-7-14(8-10-15)18-17(21)19-22/h3-11,22H,1-2H3,(H2,18,19,21)
InChIKeyQJQLRNNZTVAZRS-UHFFFAOYSA-N
XLogP3.54
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylphenyl) 4-propan-2-ylbenzoate
CID 1406523
(4-ethylphenyl) 4-propan-2-ylbenzoate
CID 1406527
(4-propan-2-ylphenyl) 3,5-diacetamidobenzoate
CID 78776038
N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 17180586
(4-acetamidophenyl) 4-chlorobenzoate
CID 586902
bis(4-propan-2-ylphenyl) benzene-1,3-dicarboxylate
CID 91739884
(4-methoxycarbonylphenyl) 4-acetamidobenzoate
CID 7761360
1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea
CID 134113078
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
(3,5-dimethylphenyl) 4-propan-2-ylbenzoate
CID 1406526
[4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate
CID 155294828
[4-[(2,5-dichlorophenyl)carbamoyl]phenyl] 4-propan-2-ylbenzoate
CID 2071959

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate?
The IUPAC name of [4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate (CID 22762252) is [4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate.
What is the SMILES notation for [4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate?
The canonical SMILES for [4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate is CC(C)c1ccc(C(=O)Oc2ccc(NC(=O)NO)cc2)cc1.
What is the InChIKey of [4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate?
The InChIKey is QJQLRNNZTVAZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(2)12-3-5-13(6-4-12)16(20)23-15-9-7-14(8-10-15)18-17(21)19-22/h3-11,22H,1-2H3,(H2,18,19,21).
What are the key properties of [4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate?
[4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate has a molecular weight of 314.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate is sourced from PubChem (CID 22762252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).