[4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate

C27H41NO5 — CID 23455720

IUPAC[4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate
SMILESCCC(=O)C(CCCCCCc1ccc(OC(=O)CCCN2CCOCC2)cc1)C(=O)CC
InChIInChI=1S/C27H41NO5/c1-3-25(29)24(26(30)4-2)11-8-6-5-7-10-22-13-15-23(16-14-22)33-27(31)12-9-17-28-18-20-32-21-19-28/h13-16,24H,3-12,17-21H2,1-2H3
InChIKeyGJJAKQPXYSTNKL-UHFFFAOYSA-N
MW459.63 g/mol
LogP4.77
Rot. Bonds16

About [4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate

[4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate (PubChem CID 23455720) has the molecular formula C27H41NO5 and a molecular weight of 459.63 g/mol. Its IUPAC name is [4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate.

Molecular Properties

Compound Name[4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate
PubChem CID23455720
Molecular FormulaC27H41NO5
Molecular Weight459.63 g/mol
Exact Mass459.30
IUPAC Name[4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate
SMILESCCC(=O)C(CCCCCCc1ccc(OC(=O)CCCN2CCOCC2)cc1)C(=O)CC
InChIInChI=1S/C27H41NO5/c1-3-25(29)24(26(30)4-2)11-8-6-5-7-10-22-13-15-23(16-14-22)33-27(31)12-9-17-28-18-20-32-21-19-28/h13-16,24H,3-12,17-21H2,1-2H3
InChIKeyGJJAKQPXYSTNKL-UHFFFAOYSA-N
XLogP4.77
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate?
The IUPAC name of [4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate (CID 23455720) is [4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate.
What is the SMILES notation for [4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate?
The canonical SMILES for [4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate is CCC(=O)C(CCCCCCc1ccc(OC(=O)CCCN2CCOCC2)cc1)C(=O)CC.
What is the InChIKey of [4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate?
The InChIKey is GJJAKQPXYSTNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41NO5/c1-3-25(29)24(26(30)4-2)11-8-6-5-7-10-22-13-15-23(16-14-22)33-27(31)12-9-17-28-18-20-32-21-19-28/h13-16,24H,3-12,17-21H2,1-2H3.
What are the key properties of [4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate?
[4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate has a molecular weight of 459.63 g/mol, XLogP of 4.77, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-oxo-7-propanoyldecyl)phenyl] 4-morpholin-4-ylbutanoate is sourced from PubChem (CID 23455720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).