(Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane

C58H115N7O19 — CID 171558127

IUPAC(Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane
SMILESCC.CCOCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOC(C)C)NC(=O)CCCCCN(N)/C=C(\N)CCCC(=O)NCCOCCOCCOCCOCCC(=O)C(C)C
InChIInChI=1S/C56H109N7O19.C2H6/c1-6-69-27-28-74-37-38-76-35-31-72-25-18-60-54(66)15-22-80-46-51(47-81-23-16-55(67)61-19-26-73-32-36-78-41-42-79-43-44-82-49(4)5)62-56(68)12-8-7-9-20-63(58)45-50(57)11-10-13-53(65)59-17-24-71-30-34-77-40-39-75-33-29-70-21-14-52(64)48(2)3;1-2/h45,48-49,51H,6-44,46-47,57-58H2,1-5H3,(H,59,65)(H,60,66)(H,61,67)(H,62,68);1-2H3/b50-45-;
InChIKeyHTJIHMDCONIDHU-PWMJVTNXSA-N
MW1214.59 g/mol
LogP2.61
Rot. Bonds64

About (Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane

(Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane (PubChem CID 171558127) has the molecular formula C58H115N7O19 and a molecular weight of 1214.59 g/mol. Its IUPAC name is (Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane.

Molecular Properties

Compound Name(Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane
PubChem CID171558127
Molecular FormulaC58H115N7O19
Molecular Weight1214.59 g/mol
Exact Mass1213.82
IUPAC Name(Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane
SMILESCC.CCOCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOC(C)C)NC(=O)CCCCCN(N)/C=C(\N)CCCC(=O)NCCOCCOCCOCCOCCC(=O)C(C)C
InChIInChI=1S/C56H109N7O19.C2H6/c1-6-69-27-28-74-37-38-76-35-31-72-25-18-60-54(66)15-22-80-46-51(47-81-23-16-55(67)61-19-26-73-32-36-78-41-42-79-43-44-82-49(4)5)62-56(68)12-8-7-9-20-63(58)45-50(57)11-10-13-53(65)59-17-24-71-30-34-77-40-39-75-33-29-70-21-14-52(64)48(2)3;1-2/h45,48-49,51H,6-44,46-47,57-58H2,1-5H3,(H,59,65)(H,60,66)(H,61,67)(H,62,68);1-2H3/b50-45-;
InChIKeyHTJIHMDCONIDHU-PWMJVTNXSA-N
XLogP2.61
TPSA317.97 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds64
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001214.59
LogP ≤ 52.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane with MolForge

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Related Compounds

N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen
CID 168986443
3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 176825441
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
CID 155739597
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 138721605
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 168756309
N-[2-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-N'-propan-2-ylpentanediamide
CID 170207685
6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
CID 176717444
18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide
CID 162524798
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide
CID 170039668

Frequently Asked Questions

What is the IUPAC name of (Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane?
The IUPAC name of (Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane (CID 171558127) is (Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane.
What is the SMILES notation for (Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane?
The canonical SMILES for (Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane is CC.CCOCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOC(C)C)NC(=O)CCCCCN(N)/C=C(\N)CCCC(=O)NCCOCCOCCOCCOCCC(=O)C(C)C.
What is the InChIKey of (Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane?
The InChIKey is HTJIHMDCONIDHU-PWMJVTNXSA-N. The full InChI is InChI=1S/C56H109N7O19.C2H6/c1-6-69-27-28-74-37-38-76-35-31-72-25-18-60-54(66)15-22-80-46-51(47-81-23-16-55(67)61-19-26-73-32-36-78-41-42-79-43-44-82-49(4)5)62-56(68)12-8-7-9-20-63(58)45-50(57)11-10-13-53(65)59-17-24-71-30-34-77-40-39-75-33-29-70-21-14-52(64)48(2)3;1-2/h45,48-49,51H,6-44,46-47,57-58H2,1-5H3,(H,59,65)(H,60,66)(H,61,67)(H,62,68);1-2H3/b50-45-;.
What are the key properties of (Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane?
(Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane has a molecular weight of 1214.59 g/mol, XLogP of 2.61, 64 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-amino-6-[amino-[6-[[1-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]amino]-6-oxohexyl]amino]-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]hex-5-enamide;ethane is sourced from PubChem (CID 171558127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).