N,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide

C35H71N3O5 — CID 59900032

IUPACN,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide
SMILESCNCCOCCOCCOCCN(C)C(=O)CCC(=O)N(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C35H71N3O5/c1-30(2)12-9-13-31(3)14-10-15-32(4)16-11-17-33(5)20-22-37(7)34(39)18-19-35(40)38(8)23-25-42-27-29-43-28-26-41-24-21-36-6/h30-33,36H,9-29H2,1-8H3
InChIKeyYQNVYIPALZTBHX-UHFFFAOYSA-N
MW613.97 g/mol
LogP6.42
Rot. Bonds30

About N,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide

N,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide (PubChem CID 59900032) has the molecular formula C35H71N3O5 and a molecular weight of 613.97 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide
PubChem CID59900032
Molecular FormulaC35H71N3O5
Molecular Weight613.97 g/mol
Exact Mass613.54
IUPAC NameN,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide
SMILESCNCCOCCOCCOCCN(C)C(=O)CCC(=O)N(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C35H71N3O5/c1-30(2)12-9-13-31(3)14-10-15-32(4)16-11-17-33(5)20-22-37(7)34(39)18-19-35(40)38(8)23-25-42-27-29-43-28-26-41-24-21-36-6/h30-33,36H,9-29H2,1-8H3
InChIKeyYQNVYIPALZTBHX-UHFFFAOYSA-N
XLogP6.42
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.97
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 166694904
3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide
CID 167270132
N-(2-ethoxyethyl)-N-methyl-3-(methylamino)propanamide
CID 81058236
4-[2-[2-[2-[3-carboxypropanoyl(methyl)amino]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid
CID 125495900
N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide
CID 23377103
N-methyl-2-[2-(methylamino)ethoxy]-N-[2-(2-methylsulfonylethoxy)ethyl]acetamide
CID 170359457
3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115163571
methyl (2S)-2-amino-5-[2-(2-ethoxyethoxy)ethyl-methylamino]-5-oxopentanoate
CID 156858129
3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine
CID 142623061
N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
CID 166997106
N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide
CID 118260688
N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide
CID 89140505

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide?
The IUPAC name of N,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide (CID 59900032) is N,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide.
What is the SMILES notation for N,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide?
The canonical SMILES for N,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide is CNCCOCCOCCOCCN(C)C(=O)CCC(=O)N(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of N,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide?
The InChIKey is YQNVYIPALZTBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H71N3O5/c1-30(2)12-9-13-31(3)14-10-15-32(4)16-11-17-33(5)20-22-37(7)34(39)18-19-35(40)38(8)23-25-42-27-29-43-28-26-41-24-21-36-6/h30-33,36H,9-29H2,1-8H3.
What are the key properties of N,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide?
N,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide has a molecular weight of 613.97 g/mol, XLogP of 6.42, 30 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide is sourced from PubChem (CID 59900032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).