N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide

C26H51NO9 — CID 165106125

IUPACN-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCCCOCCOCCOCCOCCOCCOCCCC(=O)C(C)C
InChIInChI=1S/C26H51NO9/c1-23(2)25(28)8-7-11-31-13-15-33-17-19-35-21-20-34-18-16-32-14-12-30-10-6-5-9-27-26(29)22-36-24(3)4/h23-24H,5-22H2,1-4H3,(H,27,29)
InChIKeyYFLGNZXVRYSVII-UHFFFAOYSA-N
MW521.69 g/mol
LogP2.41
Rot. Bonds28

About N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide

N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide (PubChem CID 165106125) has the molecular formula C26H51NO9 and a molecular weight of 521.69 g/mol. Its IUPAC name is N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide
PubChem CID165106125
Molecular FormulaC26H51NO9
Molecular Weight521.69 g/mol
Exact Mass521.36
IUPAC NameN-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCCCOCCOCCOCCOCCOCCOCCCC(=O)C(C)C
InChIInChI=1S/C26H51NO9/c1-23(2)25(28)8-7-11-31-13-15-33-17-19-35-21-20-34-18-16-32-14-12-30-10-6-5-9-27-26(29)22-36-24(3)4/h23-24H,5-22H2,1-4H3,(H,27,29)
InChIKeyYFLGNZXVRYSVII-UHFFFAOYSA-N
XLogP2.41
TPSA110.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.69
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[2-(5-acetamidopentoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 142616275
N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 138727601
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine
CID 165106432
4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide
CID 169317050
N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
CID 142616578
N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
CID 155739597
N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 157048797
N-[8-(methylamino)octyl]-2-propan-2-yloxyacetamide
CID 154671213
N-(4-aminobutyl)-2-propan-2-yloxyacetamide
CID 112601737
ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide
CID 160711041
N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane
CID 157048796

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide (CID 165106125) is N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCCCCOCCOCCOCCOCCOCCOCCCC(=O)C(C)C.
What is the InChIKey of N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide?
The InChIKey is YFLGNZXVRYSVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO9/c1-23(2)25(28)8-7-11-31-13-15-33-17-19-35-21-20-34-18-16-32-14-12-30-10-6-5-9-27-26(29)22-36-24(3)4/h23-24H,5-22H2,1-4H3,(H,27,29).
What are the key properties of N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide?
N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide has a molecular weight of 521.69 g/mol, XLogP of 2.41, 28 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 165106125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).