2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate

C23H46N2O6 — CID 134487391

IUPAC2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate
SMILESCC(C)COC(=O)CCCCNCCOCCOCCNCCCC(=O)OCC(C)C
InChIInChI=1S/C23H46N2O6/c1-20(2)18-30-22(26)8-5-6-10-24-12-14-28-16-17-29-15-13-25-11-7-9-23(27)31-19-21(3)4/h20-21,24-25H,5-19H2,1-4H3
InChIKeyKFCBOASMRXQMLT-UHFFFAOYSA-N
MW446.63 g/mol
LogP2.55
Rot. Bonds22

About 2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate

2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate (PubChem CID 134487391) has the molecular formula C23H46N2O6 and a molecular weight of 446.63 g/mol. Its IUPAC name is 2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate.

Molecular Properties

Compound Name2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate
PubChem CID134487391
Molecular FormulaC23H46N2O6
Molecular Weight446.63 g/mol
Exact Mass446.34
IUPAC Name2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate
SMILESCC(C)COC(=O)CCCCNCCOCCOCCNCCCC(=O)OCC(C)C
InChIInChI=1S/C23H46N2O6/c1-20(2)18-30-22(26)8-5-6-10-24-12-14-28-16-17-29-15-13-25-11-7-9-23(27)31-19-21(3)4/h20-21,24-25H,5-19H2,1-4H3
InChIKeyKFCBOASMRXQMLT-UHFFFAOYSA-N
XLogP2.55
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.63
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-methylpentyl 5-[2-[2-[2-[[5-(3-methylbutoxy)-5-oxopentyl]amino]ethoxy]ethoxy]ethylamino]pentanoate
CID 134487384
2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 121469854
2-methylpropyl 6-(methylamino)hexanoate
CID 135294168
2-methylpropyl 5-ethoxypentanoate
CID 134561758
2-methylpropyl 4-[2-[2-(2-heptoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470454
2-methylpropyl 4-(2-octoxyethoxy)butanoate
CID 121470140
2-methylpropyl 5-methoxypentanoate
CID 134561762
ethyl 6-(2-but-3-enoxyethylamino)hexanoate
CID 106401753
1-O-[2-[2-[3-(2-methylpropoxy)-3-oxopropanoyl]oxyethoxy]ethyl] 3-O-(2-methylpropyl) propanedioate
CID 118298690
2-[2-(propylamino)ethoxy]ethyl pentanoate
CID 82532625
2-methylpropyl 6-(butoxycarbonylamino)hexanoate
CID 91734843
5-(2-propoxyethylamino)pentanamide
CID 106237519

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate?
The IUPAC name of 2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate (CID 134487391) is 2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate.
What is the SMILES notation for 2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate?
The canonical SMILES for 2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate is CC(C)COC(=O)CCCCNCCOCCOCCNCCCC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate?
The InChIKey is KFCBOASMRXQMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O6/c1-20(2)18-30-22(26)8-5-6-10-24-12-14-28-16-17-29-15-13-25-11-7-9-23(27)31-19-21(3)4/h20-21,24-25H,5-19H2,1-4H3.
What are the key properties of 2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate?
2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate has a molecular weight of 446.63 g/mol, XLogP of 2.55, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate is sourced from PubChem (CID 134487391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).