2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide

C13H28N2O4 — CID 54938540

IUPAC2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNCC(O)COCCOC(C)C
InChIInChI=1S/C13H28N2O4/c1-4-5-15-13(17)9-14-8-12(16)10-18-6-7-19-11(2)3/h11-12,14,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyCHYAPZNODJOTSN-UHFFFAOYSA-N
MW276.38 g/mol
LogP-0.10
Rot. Bonds12

About 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide

2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide (PubChem CID 54938540) has the molecular formula C13H28N2O4 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide
PubChem CID54938540
Molecular FormulaC13H28N2O4
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNCC(O)COCCOC(C)C
InChIInChI=1S/C13H28N2O4/c1-4-5-15-13(17)9-14-8-12(16)10-18-6-7-19-11(2)3/h11-12,14,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyCHYAPZNODJOTSN-UHFFFAOYSA-N
XLogP-0.10
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 5-0.10
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-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide (CID 54938540) is 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide is CCCNC(=O)CNCC(O)COCCOC(C)C.
What is the InChIKey of 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide?
The InChIKey is CHYAPZNODJOTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4/c1-4-5-15-13(17)9-14-8-12(16)10-18-6-7-19-11(2)3/h11-12,14,16H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide?
2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide has a molecular weight of 276.38 g/mol, XLogP of -0.10, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide is sourced from PubChem (CID 54938540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).