2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide

C22H43NO8 — CID 163401188

IUPAC2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
SMILESCCC(C)C(=O)NCCOCCOCCOCCOCCOCCOCC(=O)C(C)C
InChIInChI=1S/C22H43NO8/c1-5-20(4)22(25)23-6-7-26-8-9-27-10-11-28-12-13-29-14-15-30-16-17-31-18-21(24)19(2)3/h19-20H,5-18H2,1-4H3,(H,23,25)
InChIKeyHMLHZQSLURFWKK-UHFFFAOYSA-N
MW449.59 g/mol
LogP1.47
Rot. Bonds23

About 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide

2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide (PubChem CID 163401188) has the molecular formula C22H43NO8 and a molecular weight of 449.59 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
PubChem CID163401188
Molecular FormulaC22H43NO8
Molecular Weight449.59 g/mol
Exact Mass449.30
IUPAC Name2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
SMILESCCC(C)C(=O)NCCOCCOCCOCCOCCOCCOCC(=O)C(C)C
InChIInChI=1S/C22H43NO8/c1-5-20(4)22(25)23-6-7-26-8-9-27-10-11-28-12-13-29-14-15-30-16-17-31-18-21(24)19(2)3/h19-20H,5-18H2,1-4H3,(H,23,25)
InChIKeyHMLHZQSLURFWKK-UHFFFAOYSA-N
XLogP1.47
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.59
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 176577667
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
2-amino-3-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]butanamide
CID 58663980
2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 170008061
2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide
CID 170116833
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159557
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196
3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
CID 177358681
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;molecular hydrogen
CID 171106543
1-[2-[2-(tert-butylamino)ethoxy]ethoxy]-3-methylbutan-2-one
CID 138460886

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The IUPAC name of 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide (CID 163401188) is 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide is CCC(C)C(=O)NCCOCCOCCOCCOCCOCCOCC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The InChIKey is HMLHZQSLURFWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO8/c1-5-20(4)22(25)23-6-7-26-8-9-27-10-11-28-12-13-29-14-15-30-16-17-31-18-21(24)19(2)3/h19-20H,5-18H2,1-4H3,(H,23,25).
What are the key properties of 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 449.59 g/mol, XLogP of 1.47, 23 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 163401188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).