2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate

C35H70N4O13 — CID 176880575

IUPAC2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate
SMILESCOCCOC(=O)CCN(CCCN(C)C)CCC(=O)OCCOCCOCCOCCOC(=O)CCNCCCOCCOCCOCCCN
InChIInChI=1S/C35H70N4O13/c1-38(2)13-6-14-39(15-8-34(41)50-30-19-43-3)16-9-35(42)52-32-29-49-27-25-47-24-26-48-28-31-51-33(40)7-12-37-11-5-18-45-21-23-46-22-20-44-17-4-10-36/h37H,4-32,36H2,1-3H3
InChIKeyYFEMOXYLBMSSII-UHFFFAOYSA-N
MW754.96 g/mol
LogP0.11
Rot. Bonds41

About 2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate

2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate (PubChem CID 176880575) has the molecular formula C35H70N4O13 and a molecular weight of 754.96 g/mol. Its IUPAC name is 2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate.

Molecular Properties

Compound Name2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate
PubChem CID176880575
Molecular FormulaC35H70N4O13
Molecular Weight754.96 g/mol
Exact Mass754.49
IUPAC Name2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate
SMILESCOCCOC(=O)CCN(CCCN(C)C)CCC(=O)OCCOCCOCCOCCOC(=O)CCNCCCOCCOCCOCCCN
InChIInChI=1S/C35H70N4O13/c1-38(2)13-6-14-39(15-8-34(41)50-30-19-43-3)16-9-35(42)52-32-29-49-27-25-47-24-26-48-28-31-51-33(40)7-12-37-11-5-18-45-21-23-46-22-20-44-17-4-10-36/h37H,4-32,36H2,1-3H3
InChIKeyYFEMOXYLBMSSII-UHFFFAOYSA-N
XLogP0.11
TPSA188.04 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds41
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.96
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate with MolForge

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Related Compounds

2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate
CID 176880518
3-[3-[(3-ethoxy-3-oxopropyl)-(5-hydroxypentyl)amino]propanoyloxy]butyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate
CID 176880703
methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate
CID 123508002
2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate
CID 156821481
ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate
CID 103605712
2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate
CID 169151963
but-3-ynyl 3-[3-(dimethylamino)propylamino]propanoate
CID 177012747
2-(3-methoxypropoxy)ethyl 6-aminohexanoate
CID 103178476
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303
3-[4-(dimethylamino)butylamino]propyl pentanoate
CID 174293227
2-methoxyethyl 3-[[3-[2-[2-[2-[2-[3-[[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]-[3-(4-methylpiperazin-1-yl)propyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]-[3-(4-methylpiperazin-1-yl)propyl]amino]propanoate
CID 176880627
methyl 3-[2-aminoethyl(hexyl)amino]propanoate;methyl 6-(5-aminopentylamino)hexanoate;methyl 6-[5-[(3-methoxy-3-oxopropyl)amino]pentylamino]hexanoate
CID 157083550

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate?
The IUPAC name of 2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate (CID 176880575) is 2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate.
What is the SMILES notation for 2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate?
The canonical SMILES for 2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate is COCCOC(=O)CCN(CCCN(C)C)CCC(=O)OCCOCCOCCOCCOC(=O)CCNCCCOCCOCCOCCCN.
What is the InChIKey of 2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate?
The InChIKey is YFEMOXYLBMSSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H70N4O13/c1-38(2)13-6-14-39(15-8-34(41)50-30-19-43-3)16-9-35(42)52-32-29-49-27-25-47-24-26-48-28-31-51-33(40)7-12-37-11-5-18-45-21-23-46-22-20-44-17-4-10-36/h37H,4-32,36H2,1-3H3.
What are the key properties of 2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate?
2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate has a molecular weight of 754.96 g/mol, XLogP of 0.11, 41 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]propanoate is sourced from PubChem (CID 176880575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).