3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate

C18H20N2O4 — CID 13188750

IUPAC3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate
SMILESCC(CCOC(=O)c1ccc(N)cc1)OC(=O)c1ccc(N)cc1
InChIInChI=1S/C18H20N2O4/c1-12(24-18(22)14-4-8-16(20)9-5-14)10-11-23-17(21)13-2-6-15(19)7-3-13/h2-9,12H,10-11,19-20H2,1H3
InChIKeyJRYJYYHAPZLLND-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.64
Rot. Bonds6

About 3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate

3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate (PubChem CID 13188750) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate.

Molecular Properties

Compound Name3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate
PubChem CID13188750
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate
SMILESCC(CCOC(=O)c1ccc(N)cc1)OC(=O)c1ccc(N)cc1
InChIInChI=1S/C18H20N2O4/c1-12(24-18(22)14-4-8-16(20)9-5-14)10-11-23-17(21)13-2-6-15(19)7-3-13/h2-9,12H,10-11,19-20H2,1H3
InChIKeyJRYJYYHAPZLLND-UHFFFAOYSA-N
XLogP2.64
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate 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

3-hydroxypentyl 4-aminobenzoate
CID 142742949
4-O-heptan-2-yl 1-O-tridecyl benzene-1,4-dicarboxylate
CID 91724728
4-O-(5-methylhexan-2-yl) 1-O-pentyl benzene-1,4-dicarboxylate
CID 91735592
2-methylpropyl 4-aminobenzoate
CID 23616374
[(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate
CID 101015957
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
pentan-2-yl 4-propan-2-ylbenzoate
CID 121443905
azane;butyl 4-aminobenzoate
CID 175088613
ethyl 4-aminobenzoate
CID 2337
4-O-decan-2-yl 1-O-ethyl benzene-1,4-dicarboxylate
CID 91727080
2-[2-(4-aminobenzoyl)oxyethylsulfanyl]ethyl 4-aminobenzoate
CID 131860391

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate?
The IUPAC name of 3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate (CID 13188750) is 3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate.
What is the SMILES notation for 3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate?
The canonical SMILES for 3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate is CC(CCOC(=O)c1ccc(N)cc1)OC(=O)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate?
The InChIKey is JRYJYYHAPZLLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(24-18(22)14-4-8-16(20)9-5-14)10-11-23-17(21)13-2-6-15(19)7-3-13/h2-9,12H,10-11,19-20H2,1H3.
What are the key properties of 3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate?
3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate has a molecular weight of 328.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate is sourced from PubChem (CID 13188750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).