N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide

C29H58N2O6 — CID 89140505

IUPACN,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide
SMILESCN(CCOCCO)C(=O)CCCCCCCCCCCCCCCCCCC(=O)NCCOCCO
InChIInChI=1S/C29H58N2O6/c1-31(21-25-37-27-23-33)29(35)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-28(34)30-20-24-36-26-22-32/h32-33H,2-27H2,1H3,(H,30,34)
InChIKeyAQNXEXOTQQFKBL-UHFFFAOYSA-N
MW530.79 g/mol
LogP4.60
Rot. Bonds29

About N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide

N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide (PubChem CID 89140505) has the molecular formula C29H58N2O6 and a molecular weight of 530.79 g/mol. Its IUPAC name is N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide
PubChem CID89140505
Molecular FormulaC29H58N2O6
Molecular Weight530.79 g/mol
Exact Mass530.43
IUPAC NameN,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide
SMILESCN(CCOCCO)C(=O)CCCCCCCCCCCCCCCCCCC(=O)NCCOCCO
InChIInChI=1S/C29H58N2O6/c1-31(21-25-37-27-23-33)29(35)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-28(34)30-20-24-36-26-22-32/h32-33H,2-27H2,1H3,(H,30,34)
InChIKeyAQNXEXOTQQFKBL-UHFFFAOYSA-N
XLogP4.60
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.79
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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]hexadecanamide
CID 102228656
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-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide
CID 122412924
(E)-N-[2-(2-hydroxyethoxy)ethyl]-8-methylundec-8-enamide
CID 89264524
(Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide
CID 102485842
ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen
CID 155740333
2-[2-[2-[3-[2-[hexadecanoyl(methyl)amino]ethyl-methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 174207545
N,N'-bis(3-dodecoxypropyl)decanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]dodecanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]tridecanediamide;N,N'-bis(3-methoxypropyl)decanediamide;N,N'-bis(3-methoxypropyl)dodecanediamide;N,N'-bis(3-methoxypropyl)icosanediamide
CID 161275900
N-[2-(2-hydroxyethoxy)ethyl]-N'-[2-(2-hydroxyethoxy)ethylidene]decanediamide
CID 144971171
2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide
CID 166636671
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-9-hydroxynonanamide
CID 155740106

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide?
The IUPAC name of N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide (CID 89140505) is N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide.
What is the SMILES notation for N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide?
The canonical SMILES for N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide is CN(CCOCCO)C(=O)CCCCCCCCCCCCCCCCCCC(=O)NCCOCCO.
What is the InChIKey of N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide?
The InChIKey is AQNXEXOTQQFKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58N2O6/c1-31(21-25-37-27-23-33)29(35)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-28(34)30-20-24-36-26-22-32/h32-33H,2-27H2,1H3,(H,30,34).
What are the key properties of N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide?
N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide has a molecular weight of 530.79 g/mol, XLogP of 4.60, 29 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide is sourced from PubChem (CID 89140505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).