decyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate

C75H145N5O15 — CID 176741179

IUPACdecyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate
SMILESCCCCCCCCCCOC(=O)C(O)CN(CCN1CCN(CCN(CC(O)C(=O)OCCCCCCCCCC)CC(O)C(=O)OCCCCCCCCCC)CC1)CCN(CC(O)C(=O)OCCCCCCCCCC)CC(O)C(=O)OCCCCCCCCCC
InChIInChI=1S/C75H145N5O15/c1-6-11-16-21-26-31-36-41-56-91-71(86)66(81)61-78(53-55-80(64-69(84)74(89)94-59-44-39-34-29-24-19-14-9-4)65-70(85)75(90)95-60-45-40-35-30-25-20-15-10-5)52-50-76-46-48-77(49-47-76)51-54-79(62-67(82)72(87)92-57-42-37-32-27-22-17-12-7-2)63-68(83)73(88)93-58-43-38-33-28-23-18-13-8-3/h66-70,81-85H,6-65H2,1-5H3
InChIKeyDKUFSBJHXCUULJ-UHFFFAOYSA-N
MW1357.00 g/mol
LogP11.73
Rot. Bonds69

About decyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate

decyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate (PubChem CID 176741179) has the molecular formula C75H145N5O15 and a molecular weight of 1357.00 g/mol. Its IUPAC name is decyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namedecyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate
PubChem CID176741179
Molecular FormulaC75H145N5O15
Molecular Weight1357.00 g/mol
Exact Mass1356.07
IUPAC Namedecyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate
SMILESCCCCCCCCCCOC(=O)C(O)CN(CCN1CCN(CCN(CC(O)C(=O)OCCCCCCCCCC)CC(O)C(=O)OCCCCCCCCCC)CC1)CCN(CC(O)C(=O)OCCCCCCCCCC)CC(O)C(=O)OCCCCCCCCCC
InChIInChI=1S/C75H145N5O15/c1-6-11-16-21-26-31-36-41-56-91-71(86)66(81)61-78(53-55-80(64-69(84)74(89)94-59-44-39-34-29-24-19-14-9-4)65-70(85)75(90)95-60-45-40-35-30-25-20-15-10-5)52-50-76-46-48-77(49-47-76)51-54-79(62-67(82)72(87)92-57-42-37-32-27-22-17-12-7-2)63-68(83)73(88)93-58-43-38-33-28-23-18-13-8-3/h66-70,81-85H,6-65H2,1-5H3
InChIKeyDKUFSBJHXCUULJ-UHFFFAOYSA-N
XLogP11.73
TPSA248.85 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds69
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001357.00
LogP ≤ 511.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze decyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate with MolForge

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

Launch Full Analysis

Related Compounds

6-(hexoxymethoxy)hexyl 3-[4-[2-[bis[3-[6-(hexoxymethoxy)hexoxy]-2-hydroxy-3-oxopropyl]amino]ethyl]piperazin-1-yl]-2-hydroxypropanoate
CID 176741166
decyl 3-[3-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]propyl-[3-(dimethylamino)propyl]amino]-2-hydroxypropanoate
CID 177295753
4-[2-[4-[2-[2-[bis[4-(2-hexyldecanoyloxy)butyl]amino]ethyl-[4-(2-hexyldecanoyloxy)butyl]amino]ethyl]piperazin-1-yl]ethyl-[4-(2-hexyldecanoyloxy)butyl]amino]butyl 2-hexyldecanoate
CID 176836294
4-[2-[4-[2-[bis[4-(2-octyldodecanoyloxy)butyl]amino]ethyl]piperazin-1-yl]ethyl-[4-(2-octyldodecanoyloxy)butyl]amino]butyl 2-octyldodecanoate
CID 176836303
1-[2-hydroxydodecyl-[2-[2-hydroxydodecyl-[2-[4-[2-[2-hydroxydodecyl(2-hydroxyundecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]ethyl]amino]tetradecan-2-ol
CID 163496629
6-[3-[2-[2-[bis[3-[6-(2-hexyldecanoyloxy)hexoxy]-2-hydroxy-3-oxopropyl]amino]ethyl-methylamino]ethyl-[3-[6-(2-hexyldecanoyloxy)hexoxy]-2-hydroxy-3-oxopropyl]amino]-2-hydroxypropanoyl]oxyhexyl 2-hexyldecanoate
CID 176644837
3-[3-(2-hexyldecanoyloxy)propyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propyl 2-hexyldecanoate
CID 164814116
3-hydroxy-4-icosoxy-4-oxobutanoic acid
CID 150309299
methyl 3-[2-[4-[2-[bis(3-oxo-3-tridecoxypropyl)amino]ethyl]piperazin-1-yl]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 90207701
3-[3-[4-[3-[bis[3-(decylamino)-2-hydroxy-3-oxopropyl]amino]propyl]piperazin-1-yl]propyl-[3-(decylamino)-2-hydroxy-3-oxopropyl]amino]-N-decyl-2-hydroxypropanamide
CID 176741157
1-[4-[2-[2-[2-[bis(2-hydroxydodecyl)amino]ethyl-(2-hydroxydodecyl)amino]ethyl-(2-hydroxydodecyl)amino]ethyl]piperazin-1-yl]dodecan-2-ol
CID 46901149
6-[3-[3-[3-[bis[3-[6-(2-hexyldecanoyloxy)hexoxy]-2-hydroxy-3-oxopropyl]amino]propyl-methylamino]propyl-[3-[6-(2-hexyldecanoyloxy)hexoxy]-2-hydroxy-3-oxopropyl]amino]-2-hydroxypropanoyl]oxyhexyl 2-hexyldecanoate
CID 176644831

Frequently Asked Questions

What is the IUPAC name of decyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate?
The IUPAC name of decyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate (CID 176741179) is decyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate.
What is the SMILES notation for decyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate?
The canonical SMILES for decyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate is CCCCCCCCCCOC(=O)C(O)CN(CCN1CCN(CCN(CC(O)C(=O)OCCCCCCCCCC)CC(O)C(=O)OCCCCCCCCCC)CC1)CCN(CC(O)C(=O)OCCCCCCCCCC)CC(O)C(=O)OCCCCCCCCCC.
What is the InChIKey of decyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate?
The InChIKey is DKUFSBJHXCUULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H145N5O15/c1-6-11-16-21-26-31-36-41-56-91-71(86)66(81)61-78(53-55-80(64-69(84)74(89)94-59-44-39-34-29-24-19-14-9-4)65-70(85)75(90)95-60-45-40-35-30-25-20-15-10-5)52-50-76-46-48-77(49-47-76)51-54-79(62-67(82)72(87)92-57-42-37-32-27-22-17-12-7-2)63-68(83)73(88)93-58-43-38-33-28-23-18-13-8-3/h66-70,81-85H,6-65H2,1-5H3.
What are the key properties of decyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate?
decyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate has a molecular weight of 1357.00 g/mol, XLogP of 11.73, 69 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 3-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl-[2-[4-[2-[bis(3-decoxy-2-hydroxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]ethyl]amino]-2-hydroxypropanoate is sourced from PubChem (CID 176741179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).