N-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide

C9H18N2O4 — CID 18716355

IUPACN-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide
SMILESCC(=O)N(CCO)CN(CCO)C(C)=O
InChIInChI=1S/C9H18N2O4/c1-8(14)10(3-5-12)7-11(4-6-13)9(2)15/h12-13H,3-7H2,1-2H3
InChIKeyCPPVFKNVWSKBCN-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.37
Rot. Bonds6

About N-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide

N-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide (PubChem CID 18716355) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide
PubChem CID18716355
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide
SMILESCC(=O)N(CCO)CN(CCO)C(C)=O
InChIInChI=1S/C9H18N2O4/c1-8(14)10(3-5-12)7-11(4-6-13)9(2)15/h12-13H,3-7H2,1-2H3
InChIKeyCPPVFKNVWSKBCN-UHFFFAOYSA-N
XLogP-1.37
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide (CID 18716355) is N-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide is CC(=O)N(CCO)CN(CCO)C(C)=O.
What is the InChIKey of N-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is CPPVFKNVWSKBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-8(14)10(3-5-12)7-11(4-6-13)9(2)15/h12-13H,3-7H2,1-2H3.
What are the key properties of N-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide?
N-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 218.25 g/mol, XLogP of -1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 18716355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).