3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide

C13H26N2O3 — CID 178063167

IUPAC3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
SMILESCC(C)CC(=O)NCCOCCC(=O)NC(C)C
InChIInChI=1S/C13H26N2O3/c1-10(2)9-13(17)14-6-8-18-7-5-12(16)15-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyZHJJGJHNXVTIQF-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.08
Rot. Bonds9

About 3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide

3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide (PubChem CID 178063167) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
PubChem CID178063167
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
SMILESCC(C)CC(=O)NCCOCCC(=O)NC(C)C
InChIInChI=1S/C13H26N2O3/c1-10(2)9-13(17)14-6-8-18-7-5-12(16)15-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyZHJJGJHNXVTIQF-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-N'-propan-2-ylpentanediamide
CID 170207685
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane
CID 178008284
N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide
CID 114297478
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
ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide
CID 160711041
3-(2-methylpropoxy)-N-propan-2-ylpropanamide
CID 134180338
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide (CID 178063167) is 3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide is CC(C)CC(=O)NCCOCCC(=O)NC(C)C.
What is the InChIKey of 3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide?
The InChIKey is ZHJJGJHNXVTIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(2)9-13(17)14-6-8-18-7-5-12(16)15-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide?
3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide has a molecular weight of 258.36 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide is sourced from PubChem (CID 178063167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).