1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide

C207H411N15O64 — CID 163840003

IUPAC1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
SMILESCCCNC(=O)CN(CCOCCOCCOCCCC(C)(C)C)CC(=O)NCCC.CCCOCC(COCCC)(COCCC)CC(=O)CCOCCOCCOCCOCCCC(C)(C)C.CCCOCCCC(=O)CCOCC(COCCC(=O)CCCOCCC)(COCCC(=O)NCCOCCC)NC(=O)CCOCCOCCOCCOCCNC(C)C.CCCOCCCC(=O)CCOCC(COCCC(=O)NCCOCCC)NC(=O)CCOCCOCCOCCOCCNC(C)C.CCCOCCOCCOCCCC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCC)NC(=O)CCOCCOCCOCCOCCNC(C)C.CCCOCCOCCOCCNC(=O)CN(CCOCCOCCOCCCC(C)C)CC(=O)NCCOCCOCCOCCC
InChIInChI=1S/C44H85N3O14.C42H83N3O15.C34H67N3O11.C34H69N3O11.C30H60O8.C23H47N3O5/c1-6-19-52-22-9-11-40(48)13-24-59-36-44(37-60-25-14-41(49)12-10-23-53-20-7-2,38-61-27-15-42(50)46-18-29-54-21-8-3)47-43(51)16-26-55-30-32-57-34-35-58-33-31-56-28-17-45-39(4)5;1-5-14-49-22-28-55-30-24-51-16-7-8-40(46)9-17-59-36-39(37-60-19-10-41(47)44-13-21-54-27-33-56-29-23-50-15-6-2)45-42(48)11-18-52-25-31-57-34-35-58-32-26-53-20-12-43-38(3)4;1-5-14-41-16-7-8-32(38)9-17-47-28-31(29-48-19-10-33(39)36-13-21-42-15-6-2)37-34(40)11-18-43-22-24-45-26-27-46-25-23-44-20-12-35-30(3)4;1-5-12-40-18-24-46-27-21-43-15-9-35-33(38)30-37(11-17-45-23-29-48-26-20-42-14-7-8-32(3)4)31-34(39)36-10-16-44-22-28-47-25-19-41-13-6-2;1-7-13-36-25-30(26-37-14-8-2,27-38-15-9-3)24-28(31)11-17-33-19-21-35-23-22-34-20-18-32-16-10-12-29(4,5)6;1-6-10-24-21(27)19-26(20-22(28)25-11-7-2)12-14-30-16-18-31-17-15-29-13-8-9-23(3,4)5/h39,45H,6-38H2,1-5H3,(H,46,50)(H,47,51);38-39,43H,5-37H2,1-4H3,(H,44,47)(H,45,48);30-31,35H,5-29H2,1-4H3,(H,36,39)(H,37,40);32H,5-31H2,1-4H3,(H,35,38)(H,36,39);7-27H2,1-6H3;6-20H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyOLDMGNBUYYMETR-UHFFFAOYSA-N
MW4134.61 g/mol
LogP17.43
Rot. Bonds225

About 1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide

1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide (PubChem CID 163840003) has the molecular formula C207H411N15O64 and a molecular weight of 4134.61 g/mol. Its IUPAC name is 1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

Compound Name1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
PubChem CID163840003
Molecular FormulaC207H411N15O64
Molecular Weight4134.61 g/mol
Exact Mass4131.94
IUPAC Name1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
SMILESCCCNC(=O)CN(CCOCCOCCOCCCC(C)(C)C)CC(=O)NCCC.CCCOCC(COCCC)(COCCC)CC(=O)CCOCCOCCOCCOCCCC(C)(C)C.CCCOCCCC(=O)CCOCC(COCCC(=O)CCCOCCC)(COCCC(=O)NCCOCCC)NC(=O)CCOCCOCCOCCOCCNC(C)C.CCCOCCCC(=O)CCOCC(COCCC(=O)NCCOCCC)NC(=O)CCOCCOCCOCCOCCNC(C)C.CCCOCCOCCOCCCC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCC)NC(=O)CCOCCOCCOCCOCCNC(C)C.CCCOCCOCCOCCNC(=O)CN(CCOCCOCCOCCCC(C)C)CC(=O)NCCOCCOCCOCCC
InChIInChI=1S/C44H85N3O14.C42H83N3O15.C34H67N3O11.C34H69N3O11.C30H60O8.C23H47N3O5/c1-6-19-52-22-9-11-40(48)13-24-59-36-44(37-60-25-14-41(49)12-10-23-53-20-7-2,38-61-27-15-42(50)46-18-29-54-21-8-3)47-43(51)16-26-55-30-32-57-34-35-58-33-31-56-28-17-45-39(4)5;1-5-14-49-22-28-55-30-24-51-16-7-8-40(46)9-17-59-36-39(37-60-19-10-41(47)44-13-21-54-27-33-56-29-23-50-15-6-2)45-42(48)11-18-52-25-31-57-34-35-58-32-26-53-20-12-43-38(3)4;1-5-14-41-16-7-8-32(38)9-17-47-28-31(29-48-19-10-33(39)36-13-21-42-15-6-2)37-34(40)11-18-43-22-24-45-26-27-46-25-23-44-20-12-35-30(3)4;1-5-12-40-18-24-46-27-21-43-15-9-35-33(38)30-37(11-17-45-23-29-48-26-20-42-14-7-8-32(3)4)31-34(39)36-10-16-44-22-28-47-25-19-41-13-6-2;1-7-13-36-25-30(26-37-14-8-2,27-38-15-9-3)24-28(31)11-17-33-19-21-35-23-22-34-20-18-32-16-10-12-29(4,5)6;1-6-10-24-21(27)19-26(20-22(28)25-11-7-2)12-14-30-16-18-31-17-15-29-13-8-9-23(3,4)5/h39,45H,6-38H2,1-5H3,(H,46,50)(H,47,51);38-39,43H,5-37H2,1-4H3,(H,44,47)(H,45,48);30-31,35H,5-29H2,1-4H3,(H,36,39)(H,37,40);32H,5-31H2,1-4H3,(H,35,38)(H,36,39);7-27H2,1-6H3;6-20H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyOLDMGNBUYYMETR-UHFFFAOYSA-N
XLogP17.43
TPSA871.19 Ų
H-Bond Donors13
H-Bond Acceptors69
Rotatable Bonds225
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004134.61
LogP ≤ 517.43
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1069

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide with MolForge

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Related Compounds

N-[1-[3-[2-[5,5-bis(6-methoxyhexoxymethyl)-6-(6-methoxy-3-oxohexoxy)-3-oxohexoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[5,5-bis(6-methoxyhexoxymethyl)-6-(6-methoxy-3-oxohexoxy)-3-oxohexoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[6-(6-methoxy-3-oxohexoxy)-5,5-bis[(6-methoxy-3-oxohexoxy)methyl]-3-oxohexoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-propoxypropanamide
CID 158419828
2-[bis[5-(4,6-dioxoheptoxy)-2-oxopentyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxo-6-propoxyhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 158465003
2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide
CID 170012060
4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetamide
CID 168986576
4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide
CID 58070977
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-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide
CID 178049904
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
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide
CID 168959857
6-azido-N-[1,3-bis[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propan-2-yl]hexanamide
CID 157098712

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The IUPAC name of 1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide (CID 163840003) is 1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide.
What is the SMILES notation for 1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The canonical SMILES for 1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide is CCCNC(=O)CN(CCOCCOCCOCCCC(C)(C)C)CC(=O)NCCC.CCCOCC(COCCC)(COCCC)CC(=O)CCOCCOCCOCCOCCCC(C)(C)C.CCCOCCCC(=O)CCOCC(COCCC(=O)CCCOCCC)(COCCC(=O)NCCOCCC)NC(=O)CCOCCOCCOCCOCCNC(C)C.CCCOCCCC(=O)CCOCC(COCCC(=O)NCCOCCC)NC(=O)CCOCCOCCOCCOCCNC(C)C.CCCOCCOCCOCCCC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCC)NC(=O)CCOCCOCCOCCOCCNC(C)C.CCCOCCOCCOCCNC(=O)CN(CCOCCOCCOCCCC(C)C)CC(=O)NCCOCCOCCOCCC.
What is the InChIKey of 1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The InChIKey is OLDMGNBUYYMETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H85N3O14.C42H83N3O15.C34H67N3O11.C34H69N3O11.C30H60O8.C23H47N3O5/c1-6-19-52-22-9-11-40(48)13-24-59-36-44(37-60-25-14-41(49)12-10-23-53-20-7-2,38-61-27-15-42(50)46-18-29-54-21-8-3)47-43(51)16-26-55-30-32-57-34-35-58-33-31-56-28-17-45-39(4)5;1-5-14-49-22-28-55-30-24-51-16-7-8-40(46)9-17-59-36-39(37-60-19-10-41(47)44-13-21-54-27-33-56-29-23-50-15-6-2)45-42(48)11-18-52-25-31-57-34-35-58-32-26-53-20-12-43-38(3)4;1-5-14-41-16-7-8-32(38)9-17-47-28-31(29-48-19-10-33(39)36-13-21-42-15-6-2)37-34(40)11-18-43-22-24-45-26-27-46-25-23-44-20-12-35-30(3)4;1-5-12-40-18-24-46-27-21-43-15-9-35-33(38)30-37(11-17-45-23-29-48-26-20-42-14-7-8-32(3)4)31-34(39)36-10-16-44-22-28-47-25-19-41-13-6-2;1-7-13-36-25-30(26-37-14-8-2,27-38-15-9-3)24-28(31)11-17-33-19-21-35-23-22-34-20-18-32-16-10-12-29(4,5)6;1-6-10-24-21(27)19-26(20-22(28)25-11-7-2)12-14-30-16-18-31-17-15-29-13-8-9-23(3,4)5/h39,45H,6-38H2,1-5H3,(H,46,50)(H,47,51);38-39,43H,5-37H2,1-4H3,(H,44,47)(H,45,48);30-31,35H,5-29H2,1-4H3,(H,36,39)(H,37,40);32H,5-31H2,1-4H3,(H,35,38)(H,36,39);7-27H2,1-6H3;6-20H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of 1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide has a molecular weight of 4134.61 g/mol, XLogP of 17.43, 225 rotatable bonds, 13 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]-6-propoxy-5,5-bis(propoxymethyl)hexan-3-one;2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide;2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide;N-[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)-2-[(3-oxo-6-propoxyhexoxy)methyl]propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[1-[3-oxo-3-(2-propoxyethylamino)propoxy]-3-(3-oxo-6-propoxyhexoxy)propan-2-yl]-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 163840003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).