N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide

C23H48N2O4 — CID 143545425

IUPACN-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide
SMILESCNCCCCC(C)(C)CCC(C)(C)CCCC(=O)NCCOCCOCCO
InChIInChI=1S/C23H48N2O4/c1-22(2,10-6-7-14-24-5)12-13-23(3,4)11-8-9-21(27)25-15-17-28-19-20-29-18-16-26/h24,26H,6-20H2,1-5H3,(H,25,27)
InChIKeyLJKDEAUMSBDJJL-UHFFFAOYSA-N
MW416.65 g/mol
LogP3.52
Rot. Bonds20

About N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide

N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide (PubChem CID 143545425) has the molecular formula C23H48N2O4 and a molecular weight of 416.65 g/mol. Its IUPAC name is N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide.

Molecular Properties

Compound NameN-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide
PubChem CID143545425
Molecular FormulaC23H48N2O4
Molecular Weight416.65 g/mol
Exact Mass416.36
IUPAC NameN-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide
SMILESCNCCCCC(C)(C)CCC(C)(C)CCCC(=O)NCCOCCOCCO
InChIInChI=1S/C23H48N2O4/c1-22(2,10-6-7-14-24-5)12-13-23(3,4)11-8-9-21(27)25-15-17-28-19-20-29-18-16-26/h24,26H,6-20H2,1-5H3,(H,25,27)
InChIKeyLJKDEAUMSBDJJL-UHFFFAOYSA-N
XLogP3.52
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.65
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 137432077
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide
CID 176584959
3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 163953950
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide?
The IUPAC name of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide (CID 143545425) is N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide.
What is the SMILES notation for N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide?
The canonical SMILES for N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide is CNCCCCC(C)(C)CCC(C)(C)CCCC(=O)NCCOCCOCCO.
What is the InChIKey of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide?
The InChIKey is LJKDEAUMSBDJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O4/c1-22(2,10-6-7-14-24-5)12-13-23(3,4)11-8-9-21(27)25-15-17-28-19-20-29-18-16-26/h24,26H,6-20H2,1-5H3,(H,25,27).
What are the key properties of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide?
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide has a molecular weight of 416.65 g/mol, XLogP of 3.52, 20 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide is sourced from PubChem (CID 143545425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).