2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide

C12H26N2O4 — CID 54938493

IUPAC2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNCC(O)COCCOCC
InChIInChI=1S/C12H26N2O4/c1-3-5-14-12(16)9-13-8-11(15)10-18-7-6-17-4-2/h11,13,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyHLXPMILXVYTZAY-UHFFFAOYSA-N
MW262.35 g/mol
LogP-0.48
Rot. Bonds12

About 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide

2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide (PubChem CID 54938493) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide
PubChem CID54938493
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Name2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNCC(O)COCCOCC
InChIInChI=1S/C12H26N2O4/c1-3-5-14-12(16)9-13-8-11(15)10-18-7-6-17-4-2/h11,13,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyHLXPMILXVYTZAY-UHFFFAOYSA-N
XLogP-0.48
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide (CID 54938493) is 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide is CCCNC(=O)CNCC(O)COCCOCC.
What is the InChIKey of 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide?
The InChIKey is HLXPMILXVYTZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4/c1-3-5-14-12(16)9-13-8-11(15)10-18-7-6-17-4-2/h11,13,15H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide?
2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide has a molecular weight of 262.35 g/mol, XLogP of -0.48, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide is sourced from PubChem (CID 54938493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).