N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide

C22H44N2O10 — CID 89404725

IUPACN-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
SMILESCCCC(=O)NCCOCCOCCOCCOCC(=O)NCCOCCOCCOCCO
InChIInChI=1S/C22H44N2O10/c1-2-3-21(26)23-4-7-28-10-14-32-16-17-33-18-19-34-20-22(27)24-5-8-29-11-13-31-15-12-30-9-6-25/h25H,2-20H2,1H3,(H,23,26)(H,24,27)
InChIKeyQJIGZDRBNHVMBB-UHFFFAOYSA-N
MW496.60 g/mol
LogP-0.87
Rot. Bonds27

About N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide

N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide (PubChem CID 89404725) has the molecular formula C22H44N2O10 and a molecular weight of 496.60 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
PubChem CID89404725
Molecular FormulaC22H44N2O10
Molecular Weight496.60 g/mol
Exact Mass496.30
IUPAC NameN-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
SMILESCCCC(=O)NCCOCCOCCOCCOCC(=O)NCCOCCOCCOCCO
InChIInChI=1S/C22H44N2O10/c1-2-3-21(26)23-4-7-28-10-14-32-16-17-33-18-19-34-20-22(27)24-5-8-29-11-13-31-15-12-30-9-6-25/h25H,2-20H2,1H3,(H,23,26)(H,24,27)
InChIKeyQJIGZDRBNHVMBB-UHFFFAOYSA-N
XLogP-0.87
TPSA143.04 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide (CID 89404725) is N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide is CCCC(=O)NCCOCCOCCOCCOCC(=O)NCCOCCOCCOCCO.
What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The InChIKey is QJIGZDRBNHVMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O10/c1-2-3-21(26)23-4-7-28-10-14-32-16-17-33-18-19-34-20-22(27)24-5-8-29-11-13-31-15-12-30-9-6-25/h25H,2-20H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 496.60 g/mol, XLogP of -0.87, 27 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 89404725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).