2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate

C92H153N31O37 — CID 167674428

IUPAC2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate
SMILES[N-]=[N+]=NCCCCC(=O)CCC(=O)OCCOCC(COCC(COCC(COCC(COCC(COCC(COCCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C92H153N31O37/c93-116-108-35-2-1-11-71(124)12-20-85(132)154-46-45-141-60-73(148-48-54-156-88(135)23-15-80(127)103-30-5-38-111-119-96)62-143-64-75(150-50-56-158-90(137)25-17-82(129)105-32-7-40-113-121-98)66-145-68-77(152-52-58-160-92(139)27-19-84(131)107-34-9-42-115-123-100)70-146-69-76(151-51-57-159-91(138)26-18-83(130)106-33-8-41-114-122-99)67-144-65-74(149-49-55-157-89(136)24-16-81(128)104-31-6-39-112-120-97)63-142-61-72(147-47-53-155-87(134)22-14-79(126)102-29-4-37-110-118-95)59-140-43-10-44-153-86(133)21-13-78(125)101-28-3-36-109-117-94/h72-77H,1-70H2,(H,101,125)(H,102,126)(H,103,127)(H,104,128)(H,105,129)(H,106,130)(H,107,131)
InChIKeyUPIOHCCDQVGEIK-UHFFFAOYSA-N
MW2285.42 g/mol
LogP6.16
Rot. Bonds112

About 2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate

2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate (PubChem CID 167674428) has the molecular formula C92H153N31O37 and a molecular weight of 2285.42 g/mol. Its IUPAC name is 2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate.

Molecular Properties

Compound Name2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate
PubChem CID167674428
Molecular FormulaC92H153N31O37
Molecular Weight2285.42 g/mol
Exact Mass2284.10
IUPAC Name2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate
SMILES[N-]=[N+]=NCCCCC(=O)CCC(=O)OCCOCC(COCC(COCC(COCC(COCC(COCC(COCCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C92H153N31O37/c93-116-108-35-2-1-11-71(124)12-20-85(132)154-46-45-141-60-73(148-48-54-156-88(135)23-15-80(127)103-30-5-38-111-119-96)62-143-64-75(150-50-56-158-90(137)25-17-82(129)105-32-7-40-113-121-98)66-145-68-77(152-52-58-160-92(139)27-19-84(131)107-34-9-42-115-123-100)70-146-69-76(151-51-57-159-91(138)26-18-83(130)106-33-8-41-114-122-99)67-144-65-74(149-49-55-157-89(136)24-16-81(128)104-31-6-39-112-120-97)63-142-61-72(147-47-53-155-87(134)22-14-79(126)102-29-4-37-110-118-95)59-140-43-10-44-153-86(133)21-13-78(125)101-28-3-36-109-117-94/h72-77H,1-70H2,(H,101,125)(H,102,126)(H,103,127)(H,104,128)(H,105,129)(H,106,130)(H,107,131)
InChIKeyUPIOHCCDQVGEIK-UHFFFAOYSA-N
XLogP6.16
TPSA941.24 Ų
H-Bond Donors7
H-Bond Acceptors45
Rotatable Bonds112
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002285.42
LogP ≤ 56.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate with MolForge

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Related Compounds

3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate
CID 166504194
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-6-azidohexanamide
CID 171532583
(2-methoxy-2-pentan-3-yloxyethyl) 4-[3-[3-[(2-bromoacetyl)amino]propoxy]propylamino]-4-oxobutanoate
CID 122451535
N-(4-azidobutyl)-4-ethoxybutanamide
CID 106386746
N-(4-azidobutyl)hexanamide
CID 106386708
N-(3-aminopropyl)-6-azidohexanamide
CID 151488540
16-azido-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]hexadecanamide;2-[2-(19-azido-4-oxononadecoxy)ethoxy]-N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;1-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]icosan-4-one
CID 160776515
N-(4-azidobutyl)heptanamide
CID 106386394
1-azido-7-(7-azido-4-oxoheptoxy)heptan-4-one
CID 157229574
N-(5-azidopentyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 121333074
[(Z)-non-2-enyl] 8-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-[8-[(Z)-non-2-enoxy]-8-oxooctoxy]propoxy]octanoate
CID 169059670
2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate
CID 159227785

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate?
The IUPAC name of 2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate (CID 167674428) is 2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate.
What is the SMILES notation for 2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate?
The canonical SMILES for 2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate is [N-]=[N+]=NCCCCC(=O)CCC(=O)OCCOCC(COCC(COCC(COCC(COCC(COCC(COCCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-])OCCOC(=O)CCC(=O)NCCCN=[N+]=[N-].
What is the InChIKey of 2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate?
The InChIKey is UPIOHCCDQVGEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H153N31O37/c93-116-108-35-2-1-11-71(124)12-20-85(132)154-46-45-141-60-73(148-48-54-156-88(135)23-15-80(127)103-30-5-38-111-119-96)62-143-64-75(150-50-56-158-90(137)25-17-82(129)105-32-7-40-113-121-98)66-145-68-77(152-52-58-160-92(139)27-19-84(131)107-34-9-42-115-123-100)70-146-69-76(151-51-57-159-91(138)26-18-83(130)106-33-8-41-114-122-99)67-144-65-74(149-49-55-157-89(136)24-16-81(128)104-31-6-39-112-120-97)63-142-61-72(147-47-53-155-87(134)22-14-79(126)102-29-4-37-110-118-95)59-140-43-10-44-153-86(133)21-13-78(125)101-28-3-36-109-117-94/h72-77H,1-70H2,(H,101,125)(H,102,126)(H,103,127)(H,104,128)(H,105,129)(H,106,130)(H,107,131).
What are the key properties of 2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate?
2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate has a molecular weight of 2285.42 g/mol, XLogP of 6.16, 112 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate is sourced from PubChem (CID 167674428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).