N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol

C45H92FmN7O21- — CID 171850451

IUPACN-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol
SMILESCCN(C)C(=O)CN(C)C(=O)CN(C)[C-]=O.CN(C=O)CC(=O)N(C)CC=O.CNCCOCCOCCOCCOCCOCCOCCN(CC(O)C(O)C(O)CCO)CC(O)C(O)C(O)CCO.CO.[Fm]
InChIInChI=1S/C27H58N2O14.C10H18N3O3.C7H12N2O3.CH4O.Fm/c1-28-4-8-38-10-12-40-14-16-42-18-19-43-17-15-41-13-11-39-9-5-29(20-24(34)26(36)22(32)2-6-30)21-25(35)27(37)23(33)3-7-31;1-5-12(3)10(16)7-13(4)9(15)6-11(2)8-14;1-8(6-11)5-7(12)9(2)3-4-10;1-2;/h22-28,30-37H,2-21H2,1H3;5-7H2,1-4H3;4,6H,3,5H2,1-2H3;2H,1H3;/q;-1;;;
InChIKeyYEBKNYNHIFDLRE-UHFFFAOYSA-N
MW1324.26 g/mol
LogP-7.20
Rot. Bonds44

About N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol

N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol (PubChem CID 171850451) has the molecular formula C45H92FmN7O21- and a molecular weight of 1324.26 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol
PubChem CID171850451
Molecular FormulaC45H92FmN7O21-
Molecular Weight1324.26 g/mol
Exact Mass1323.73
IUPAC NameN-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol
SMILESCCN(C)C(=O)CN(C)C(=O)CN(C)[C-]=O.CN(C=O)CC(=O)N(C)CC=O.CNCCOCCOCCOCCOCCOCCOCCN(CC(O)C(O)C(O)CCO)CC(O)C(O)C(O)CCO.CO.[Fm]
InChIInChI=1S/C27H58N2O14.C10H18N3O3.C7H12N2O3.CH4O.Fm/c1-28-4-8-38-10-12-40-14-16-42-18-19-43-17-15-41-13-11-39-9-5-29(20-24(34)26(36)22(32)2-6-30)21-25(35)27(37)23(33)3-7-31;1-5-12(3)10(16)7-13(4)9(15)6-11(2)8-14;1-8(6-11)5-7(12)9(2)3-4-10;1-2;/h22-28,30-37H,2-21H2,1H3;5-7H2,1-4H3;4,6H,3,5H2,1-2H3;2H,1H3;/q;-1;;;
InChIKeyYEBKNYNHIFDLRE-UHFFFAOYSA-N
XLogP-7.20
TPSA371.34 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds44
Heavy Atoms74
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001324.26
LogP ≤ 5-7.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol?
The IUPAC name of N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol (CID 171850451) is N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol?
The canonical SMILES for N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol is CCN(C)C(=O)CN(C)C(=O)CN(C)[C-]=O.CN(C=O)CC(=O)N(C)CC=O.CNCCOCCOCCOCCOCCOCCOCCN(CC(O)C(O)C(O)CCO)CC(O)C(O)C(O)CCO.CO.[Fm].
What is the InChIKey of N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol?
The InChIKey is YEBKNYNHIFDLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58N2O14.C10H18N3O3.C7H12N2O3.CH4O.Fm/c1-28-4-8-38-10-12-40-14-16-42-18-19-43-17-15-41-13-11-39-9-5-29(20-24(34)26(36)22(32)2-6-30)21-25(35)27(37)23(33)3-7-31;1-5-12(3)10(16)7-13(4)9(15)6-11(2)8-14;1-8(6-11)5-7(12)9(2)3-4-10;1-2;/h22-28,30-37H,2-21H2,1H3;5-7H2,1-4H3;4,6H,3,5H2,1-2H3;2H,1H3;/q;-1;;;.
What are the key properties of N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol?
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol has a molecular weight of 1324.26 g/mol, XLogP of -7.20, 44 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol is sourced from PubChem (CID 171850451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).