N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide

C11H22N2O4 — CID 10467101

IUPACN-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)CC(=O)NCCOCCO
InChIInChI=1S/C11H22N2O4/c1-3-4-11(16)13(2)9-10(15)12-5-7-17-8-6-14/h14H,3-9H2,1-2H3,(H,12,15)
InChIKeySSXYFXLKHYDNEO-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.63
Rot. Bonds9

About N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide

N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide (PubChem CID 10467101) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide
PubChem CID10467101
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC NameN-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)CC(=O)NCCOCCO
InChIInChI=1S/C11H22N2O4/c1-3-4-11(16)13(2)9-10(15)12-5-7-17-8-6-14/h14H,3-9H2,1-2H3,(H,12,15)
InChIKeySSXYFXLKHYDNEO-UHFFFAOYSA-N
XLogP-0.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide?
The IUPAC name of N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide (CID 10467101) is N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide.
What is the SMILES notation for N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide?
The canonical SMILES for N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide is CCCC(=O)N(C)CC(=O)NCCOCCO.
What is the InChIKey of N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide?
The InChIKey is SSXYFXLKHYDNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-3-4-11(16)13(2)9-10(15)12-5-7-17-8-6-14/h14H,3-9H2,1-2H3,(H,12,15).
What are the key properties of N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide?
N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide has a molecular weight of 246.31 g/mol, XLogP of -0.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-N-methylbutanamide is sourced from PubChem (CID 10467101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).