2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide

C13H26N2O3 — CID 47030971

IUPAC2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide
SMILESCC(C)COC(C)C(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)8-18-11(5)13(17)15-7-6-14-12(16)10(3)4/h9-11H,6-8H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyJBYJNYXTJJGMIO-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.94
Rot. Bonds8

About 2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide

2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide (PubChem CID 47030971) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide
PubChem CID47030971
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide
SMILESCC(C)COC(C)C(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)8-18-11(5)13(17)15-7-6-14-12(16)10(3)4/h9-11H,6-8H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyJBYJNYXTJJGMIO-UHFFFAOYSA-N
XLogP0.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.94
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide (CID 47030971) is 2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide is CC(C)COC(C)C(=O)NCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide?
The InChIKey is JBYJNYXTJJGMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(2)8-18-11(5)13(17)15-7-6-14-12(16)10(3)4/h9-11H,6-8H2,1-5H3,(H,14,16)(H,15,17).
What are the key properties of 2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide?
2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide has a molecular weight of 258.36 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide is sourced from PubChem (CID 47030971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).