ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen

C22H49NO6 — CID 155740333

IUPACethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen
SMILESCC.CC(C)OCCCCCCCCC(=O)NCCOCCOCCOCCO.[H][H]
InChIInChI=1S/C20H41NO6.C2H6.H2/c1-19(2)27-12-8-6-4-3-5-7-9-20(23)21-10-13-24-15-17-26-18-16-25-14-11-22;1-2;/h19,22H,3-18H2,1-2H3,(H,21,23);1-2H3;1H
InChIKeyUDMSEDRQPUFCGK-UHFFFAOYSA-N
MW423.64 g/mol
LogP3.57
Rot. Bonds21

About ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen

ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen (PubChem CID 155740333) has the molecular formula C22H49NO6 and a molecular weight of 423.64 g/mol. Its IUPAC name is ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen
PubChem CID155740333
Molecular FormulaC22H49NO6
Molecular Weight423.64 g/mol
Exact Mass423.36
IUPAC Nameethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen
SMILESCC.CC(C)OCCCCCCCCC(=O)NCCOCCOCCOCCO.[H][H]
InChIInChI=1S/C20H41NO6.C2H6.H2/c1-19(2)27-12-8-6-4-3-5-7-9-20(23)21-10-13-24-15-17-26-18-16-25-14-11-22;1-2;/h19,22H,3-18H2,1-2H3,(H,21,23);1-2H3;1H
InChIKeyUDMSEDRQPUFCGK-UHFFFAOYSA-N
XLogP3.57
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.64
LogP ≤ 53.57
H-Bond Donors ≤ 52
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-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
CID 155739597
molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
CID 155739531
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen
CID 177338040
N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
CID 155739554
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
9-hydroxy-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]nonanamide
CID 155740636
molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide
CID 176953270

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen?
The IUPAC name of ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen (CID 155740333) is ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen?
The canonical SMILES for ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen is CC.CC(C)OCCCCCCCCC(=O)NCCOCCOCCOCCO.[H][H].
What is the InChIKey of ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen?
The InChIKey is UDMSEDRQPUFCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO6.C2H6.H2/c1-19(2)27-12-8-6-4-3-5-7-9-20(23)21-10-13-24-15-17-26-18-16-25-14-11-22;1-2;/h19,22H,3-18H2,1-2H3,(H,21,23);1-2H3;1H.
What are the key properties of ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen?
ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen has a molecular weight of 423.64 g/mol, XLogP of 3.57, 21 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen is sourced from PubChem (CID 155740333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).