2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate

C28H38N4O8 — CID 70585208

IUPAC2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCCOCCNC(=O)CCCCC(=O)NCCOCCOC(=O)c1ccccc1N
InChIInChI=1S/C28H38N4O8/c29-23-9-3-1-7-21(23)27(35)39-19-17-37-15-13-31-25(33)11-5-6-12-26(34)32-14-16-38-18-20-40-28(36)22-8-2-4-10-24(22)30/h1-4,7-10H,5-6,11-20,29-30H2,(H,31,33)(H,32,34)
InChIKeyIUOIWSYQYWIENI-UHFFFAOYSA-N
MW558.63 g/mol
LogP1.69
Rot. Bonds19

About 2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate

2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate (PubChem CID 70585208) has the molecular formula C28H38N4O8 and a molecular weight of 558.63 g/mol. Its IUPAC name is 2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate.

Molecular Properties

Compound Name2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate
PubChem CID70585208
Molecular FormulaC28H38N4O8
Molecular Weight558.63 g/mol
Exact Mass558.27
IUPAC Name2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCCOCCNC(=O)CCCCC(=O)NCCOCCOC(=O)c1ccccc1N
InChIInChI=1S/C28H38N4O8/c29-23-9-3-1-7-21(23)27(35)39-19-17-37-15-13-31-25(33)11-5-6-12-26(34)32-14-16-38-18-20-40-28(36)22-8-2-4-10-24(22)30/h1-4,7-10H,5-6,11-20,29-30H2,(H,31,33)(H,32,34)
InChIKeyIUOIWSYQYWIENI-UHFFFAOYSA-N
XLogP1.69
TPSA181.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.63
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-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

2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
2-(3-methylbutoxy)ethyl 2-aminobenzoate
CID 54956515
pent-3-enyl 2-aminobenzoate
CID 85151102
3-methoxypropyl 2-aminobenzoate
CID 61278385
2-trimethylsilylethyl 2-aminobenzoate
CID 154264553
2-[2-[[(E)-octadec-9-enoyl]amino]ethoxycarbonyl]benzoic acid
CID 6365839
N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide
CID 113271747
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate
CID 61485788
dodecyl 2-aminobenzoate
CID 5095316
2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499909
2-[2-[[2-[2-[2-(anthracene-1-carbonyloxy)ethoxy]ethylamino]-2-oxoacetyl]amino]ethoxy]ethyl anthracene-1-carboxylate
CID 150652492
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate?
The IUPAC name of 2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate (CID 70585208) is 2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate.
What is the SMILES notation for 2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate?
The canonical SMILES for 2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate is Nc1ccccc1C(=O)OCCOCCNC(=O)CCCCC(=O)NCCOCCOC(=O)c1ccccc1N.
What is the InChIKey of 2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate?
The InChIKey is IUOIWSYQYWIENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O8/c29-23-9-3-1-7-21(23)27(35)39-19-17-37-15-13-31-25(33)11-5-6-12-26(34)32-14-16-38-18-20-40-28(36)22-8-2-4-10-24(22)30/h1-4,7-10H,5-6,11-20,29-30H2,(H,31,33)(H,32,34).
What are the key properties of 2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate?
2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate has a molecular weight of 558.63 g/mol, XLogP of 1.69, 19 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate is sourced from PubChem (CID 70585208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).