2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide

C10H22N2O3 — CID 115666547

IUPAC2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCCN(CCCO)CC(=O)NCCOC
InChIInChI=1S/C10H22N2O3/c1-3-12(6-4-7-13)9-10(14)11-5-8-15-2/h13H,3-9H2,1-2H3,(H,11,14)
InChIKeyILPSVLKNGWDOJU-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.55
Rot. Bonds9

About 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide

2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 115666547) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID115666547
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCCN(CCCO)CC(=O)NCCOC
InChIInChI=1S/C10H22N2O3/c1-3-12(6-4-7-13)9-10(14)11-5-8-15-2/h13H,3-9H2,1-2H3,(H,11,14)
InChIKeyILPSVLKNGWDOJU-UHFFFAOYSA-N
XLogP-0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.55
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 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide (CID 115666547) is 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide is CCN(CCCO)CC(=O)NCCOC.
What is the InChIKey of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is ILPSVLKNGWDOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-3-12(6-4-7-13)9-10(14)11-5-8-15-2/h13H,3-9H2,1-2H3,(H,11,14).
What are the key properties of 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide?
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 218.30 g/mol, XLogP of -0.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115666547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).