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

C19H38N2O6 — CID 129177570

IUPAC3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
SMILESCC(C)CC(=O)NCCOCCOCCOCCOCCNC(=O)C(C)C
InChIInChI=1S/C19H38N2O6/c1-16(2)15-18(22)20-5-7-24-9-11-26-13-14-27-12-10-25-8-6-21-19(23)17(3)4/h16-17H,5-15H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyIOGBXLFAQNEUPQ-UHFFFAOYSA-N
MW390.52 g/mol
LogP0.99
Rot. Bonds18

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

3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide (PubChem CID 129177570) has the molecular formula C19H38N2O6 and a molecular weight of 390.52 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
PubChem CID129177570
Molecular FormulaC19H38N2O6
Molecular Weight390.52 g/mol
Exact Mass390.27
IUPAC Name3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
SMILESCC(C)CC(=O)NCCOCCOCCOCCOCCNC(=O)C(C)C
InChIInChI=1S/C19H38N2O6/c1-16(2)15-18(22)20-5-7-24-9-11-26-13-14-27-12-10-25-8-6-21-19(23)17(3)4/h16-17H,5-15H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyIOGBXLFAQNEUPQ-UHFFFAOYSA-N
XLogP0.99
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 50.99
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

3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide
CID 114297478
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 158884270
3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 164557272
2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 159896398
N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 155402187
ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 145320250
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
CID 178063167
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide (CID 129177570) is 3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide is CC(C)CC(=O)NCCOCCOCCOCCOCCNC(=O)C(C)C.
What is the InChIKey of 3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The InChIKey is IOGBXLFAQNEUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O6/c1-16(2)15-18(22)20-5-7-24-9-11-26-13-14-27-12-10-25-8-6-21-19(23)17(3)4/h16-17H,5-15H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 390.52 g/mol, XLogP of 0.99, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 129177570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).