propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate

C15H30N2O4 — CID 58040601

IUPACpropyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate
SMILESCCCOC(=O)CCNCCCNCCC(=O)OCCC
InChIInChI=1S/C15H30N2O4/c1-3-12-20-14(18)6-10-16-8-5-9-17-11-7-15(19)21-13-4-2/h16-17H,3-13H2,1-2H3
InChIKeyPDOGRNRGSWRCKR-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.24
Rot. Bonds14

About propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate

propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate (PubChem CID 58040601) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate.

Molecular Properties

Compound Namepropyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate
PubChem CID58040601
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Namepropyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate
SMILESCCCOC(=O)CCNCCCNCCC(=O)OCCC
InChIInChI=1S/C15H30N2O4/c1-3-12-20-14(18)6-10-16-8-5-9-17-11-7-15(19)21-13-4-2/h16-17H,3-13H2,1-2H3
InChIKeyPDOGRNRGSWRCKR-UHFFFAOYSA-N
XLogP1.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

propyl 3-[3-[bis[3-oxo-3-(propylamino)propyl]amino]propylamino]propanoate
CID 58040582
ethyl 3-(octylamino)propanoate
CID 46318537
propyl 2-(butylamino)acetate
CID 118604269
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
nonyl 4-(nonylamino)butanoate
CID 142432007
heptyl 3-(ethylamino)propanoate
CID 62328311
2-[(E)-but-2-enoxy]ethyl 3-(butylamino)propanoate
CID 54030765
2-(2-nonanoyloxyethylamino)ethyl nonanoate
CID 101278322
9-[3-(4-methylpentylamino)propanoyloxy]nonyl 3-(hexylamino)propanoate
CID 91449159
propyl 7-formamidoheptanoate
CID 54319658
bismuthane;propyl pentanoate
CID 174550006
dimethyl pentanedioate;dipropyl butanedioate
CID 174797581

Frequently Asked Questions

What is the IUPAC name of propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate?
The IUPAC name of propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate (CID 58040601) is propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate.
What is the SMILES notation for propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate?
The canonical SMILES for propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate is CCCOC(=O)CCNCCCNCCC(=O)OCCC.
What is the InChIKey of propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate?
The InChIKey is PDOGRNRGSWRCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-3-12-20-14(18)6-10-16-8-5-9-17-11-7-15(19)21-13-4-2/h16-17H,3-13H2,1-2H3.
What are the key properties of propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate?
propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate has a molecular weight of 302.42 g/mol, XLogP of 1.24, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate is sourced from PubChem (CID 58040601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).