N'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide

C28H55N3O6 — CID 122412924

IUPACN'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide
SMILESO=NCCOCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)NCCOCCO
InChIInChI=1S/C28H55N3O6/c32-22-26-37-24-20-30-28(34)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-27(33)29-19-23-36-25-21-31-35/h32H,1-26H2,(H,29,33)(H,30,34)
InChIKeyNFTSQYGZZOWEHO-UHFFFAOYSA-N
MW529.76 g/mol
LogP5.03
Rot. Bonds30

About N'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide

N'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide (PubChem CID 122412924) has the molecular formula C28H55N3O6 and a molecular weight of 529.76 g/mol. Its IUPAC name is N'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide.

Molecular Properties

Compound NameN'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide
PubChem CID122412924
Molecular FormulaC28H55N3O6
Molecular Weight529.76 g/mol
Exact Mass529.41
IUPAC NameN'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide
SMILESO=NCCOCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)NCCOCCO
InChIInChI=1S/C28H55N3O6/c32-22-26-37-24-20-30-28(34)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-27(33)29-19-23-36-25-21-31-35/h32H,1-26H2,(H,29,33)(H,30,34)
InChIKeyNFTSQYGZZOWEHO-UHFFFAOYSA-N
XLogP5.03
TPSA126.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.76
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-hydroxyethoxy)ethyl]-N'-[2-(2-hydroxyethoxy)ethylidene]decanediamide
CID 144971171
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
(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
N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide
CID 89140505
7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide
CID 106310658
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-9-hydroxynonanamide
CID 155740106
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475
ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen
CID 155740333
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

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide?
The IUPAC name of N'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide (CID 122412924) is N'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide.
What is the SMILES notation for N'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide?
The canonical SMILES for N'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide is O=NCCOCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)NCCOCCO.
What is the InChIKey of N'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide?
The InChIKey is NFTSQYGZZOWEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55N3O6/c32-22-26-37-24-20-30-28(34)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-27(33)29-19-23-36-25-21-31-35/h32H,1-26H2,(H,29,33)(H,30,34).
What are the key properties of N'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide?
N'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide has a molecular weight of 529.76 g/mol, XLogP of 5.03, 30 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-hydroxyethoxy)ethyl]-N-[2-(2-nitrosoethoxy)ethyl]icosanediamide is sourced from PubChem (CID 122412924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).