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

C18H36N2O5 — CID 166662987

IUPAC3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
SMILESCC(C)CC(=O)NCCOCCOCCOCCNC(=O)CC(C)C
InChIInChI=1S/C18H36N2O5/c1-15(2)13-17(21)19-5-7-23-9-11-25-12-10-24-8-6-20-18(22)14-16(3)4/h15-16H,5-14H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyQUILBIOSPVBGIJ-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.36
Rot. Bonds16

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

3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide (PubChem CID 166662987) has the molecular formula C18H36N2O5 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
PubChem CID166662987
Molecular FormulaC18H36N2O5
Molecular Weight360.50 g/mol
Exact Mass360.26
IUPAC Name3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
SMILESCC(C)CC(=O)NCCOCCOCCOCCNC(=O)CC(C)C
InChIInChI=1S/C18H36N2O5/c1-15(2)13-17(21)19-5-7-23-9-11-25-12-10-24-8-6-20-18(22)14-16(3)4/h15-16H,5-14H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyQUILBIOSPVBGIJ-UHFFFAOYSA-N
XLogP1.36
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 129177570
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
3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 164557272
3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
CID 178063167
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774
3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide
CID 155077240
ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide
CID 160711041
3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide
CID 164535761
3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide
CID 154642812
(3S)-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]-3-sulfanylbutanamide
CID 170007756

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide (CID 166662987) is 3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide is CC(C)CC(=O)NCCOCCOCCOCCNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The InChIKey is QUILBIOSPVBGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O5/c1-15(2)13-17(21)19-5-7-23-9-11-25-12-10-24-8-6-20-18(22)14-16(3)4/h15-16H,5-14H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide?
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 360.50 g/mol, XLogP of 1.36, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 166662987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).