N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide

C19H38N2O6 — CID 129177572

IUPACN-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
SMILESCCCC(=O)NCCOCCOCCOCCOCCNC(=O)CC(C)C
InChIInChI=1S/C19H38N2O6/c1-4-5-18(22)20-6-8-24-10-12-26-14-15-27-13-11-25-9-7-21-19(23)16-17(2)3/h17H,4-16H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySCSPNWVNPDFPCF-UHFFFAOYSA-N
MW390.52 g/mol
LogP1.13
Rot. Bonds19

About N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide

N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide (PubChem CID 129177572) has the molecular formula C19H38N2O6 and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
PubChem CID129177572
Molecular FormulaC19H38N2O6
Molecular Weight390.52 g/mol
Exact Mass390.27
IUPAC NameN-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
SMILESCCCC(=O)NCCOCCOCCOCCOCCNC(=O)CC(C)C
InChIInChI=1S/C19H38N2O6/c1-4-5-18(22)20-6-8-24-10-12-26-14-15-27-13-11-25-9-7-21-19(23)16-17(2)3/h17H,4-16H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySCSPNWVNPDFPCF-UHFFFAOYSA-N
XLogP1.13
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 51.13
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-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 129177570
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514
N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium
CID 153336214
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide
CID 114297478
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195
3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
CID 178063167

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide (CID 129177572) is N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide is CCCC(=O)NCCOCCOCCOCCOCCNC(=O)CC(C)C.
What is the InChIKey of N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide?
The InChIKey is SCSPNWVNPDFPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O6/c1-4-5-18(22)20-6-8-24-10-12-26-14-15-27-13-11-25-9-7-21-19(23)16-17(2)3/h17H,4-16H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide?
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide has a molecular weight of 390.52 g/mol, XLogP of 1.13, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide is sourced from PubChem (CID 129177572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).