nonyl 5-oxo-5-(2-phenylpropylamino)pentanoate

C23H37NO3 — CID 91709302

IUPACnonyl 5-oxo-5-(2-phenylpropylamino)pentanoate
SMILESCCCCCCCCCOC(=O)CCCC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C23H37NO3/c1-3-4-5-6-7-8-12-18-27-23(26)17-13-16-22(25)24-19-20(2)21-14-10-9-11-15-21/h9-11,14-15,20H,3-8,12-13,16-19H2,1-2H3,(H,24,25)
InChIKeyAUESILGLMIGICQ-UHFFFAOYSA-N
MW375.55 g/mol
LogP5.37
Rot. Bonds15

About nonyl 5-oxo-5-(2-phenylpropylamino)pentanoate

nonyl 5-oxo-5-(2-phenylpropylamino)pentanoate (PubChem CID 91709302) has the molecular formula C23H37NO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is nonyl 5-oxo-5-(2-phenylpropylamino)pentanoate.

Molecular Properties

Compound Namenonyl 5-oxo-5-(2-phenylpropylamino)pentanoate
PubChem CID91709302
Molecular FormulaC23H37NO3
Molecular Weight375.55 g/mol
Exact Mass375.28
IUPAC Namenonyl 5-oxo-5-(2-phenylpropylamino)pentanoate
SMILESCCCCCCCCCOC(=O)CCCC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C23H37NO3/c1-3-4-5-6-7-8-12-18-27-23(26)17-13-16-22(25)24-19-20(2)21-14-10-9-11-15-21/h9-11,14-15,20H,3-8,12-13,16-19H2,1-2H3,(H,24,25)
InChIKeyAUESILGLMIGICQ-UHFFFAOYSA-N
XLogP5.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.55
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze nonyl 5-oxo-5-(2-phenylpropylamino)pentanoate 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 nonyl 5-oxo-5-(2-phenylpropylamino)pentanoate?
The IUPAC name of nonyl 5-oxo-5-(2-phenylpropylamino)pentanoate (CID 91709302) is nonyl 5-oxo-5-(2-phenylpropylamino)pentanoate.
What is the SMILES notation for nonyl 5-oxo-5-(2-phenylpropylamino)pentanoate?
The canonical SMILES for nonyl 5-oxo-5-(2-phenylpropylamino)pentanoate is CCCCCCCCCOC(=O)CCCC(=O)NCC(C)c1ccccc1.
What is the InChIKey of nonyl 5-oxo-5-(2-phenylpropylamino)pentanoate?
The InChIKey is AUESILGLMIGICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO3/c1-3-4-5-6-7-8-12-18-27-23(26)17-13-16-22(25)24-19-20(2)21-14-10-9-11-15-21/h9-11,14-15,20H,3-8,12-13,16-19H2,1-2H3,(H,24,25).
What are the key properties of nonyl 5-oxo-5-(2-phenylpropylamino)pentanoate?
nonyl 5-oxo-5-(2-phenylpropylamino)pentanoate has a molecular weight of 375.55 g/mol, XLogP of 5.37, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 5-oxo-5-(2-phenylpropylamino)pentanoate is sourced from PubChem (CID 91709302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).