3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide

C19H41N3O3 — CID 90920758

IUPAC3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide
SMILESCCC(C)(C)CC(C)(C)CNC(=O)CCN(CCO)CCNCCO
InChIInChI=1S/C19H41N3O3/c1-6-18(2,3)15-19(4,5)16-21-17(25)7-10-22(12-14-24)11-8-20-9-13-23/h20,23-24H,6-16H2,1-5H3,(H,21,25)
InChIKeyFFOXZPLRLJQBLL-UHFFFAOYSA-N
MW359.56 g/mol
LogP1.22
Rot. Bonds15

About 3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide

3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide (PubChem CID 90920758) has the molecular formula C19H41N3O3 and a molecular weight of 359.56 g/mol. Its IUPAC name is 3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide
PubChem CID90920758
Molecular FormulaC19H41N3O3
Molecular Weight359.56 g/mol
Exact Mass359.31
IUPAC Name3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide
SMILESCCC(C)(C)CC(C)(C)CNC(=O)CCN(CCO)CCNCCO
InChIInChI=1S/C19H41N3O3/c1-6-18(2,3)15-19(4,5)16-21-17(25)7-10-22(12-14-24)11-8-20-9-13-23/h20,23-24H,6-16H2,1-5H3,(H,21,25)
InChIKeyFFOXZPLRLJQBLL-UHFFFAOYSA-N
XLogP1.22
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-hydroxyethylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide
CID 90867767
3-[2-[2-[2-[bis[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]ethylamino]ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide
CID 91045075
3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide
CID 89061413
3-[2-[methyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]ethylamino]-N-(2,2,4,4-tetramethylpentyl)propanamide
CID 90791613
3-[2-[bis(2-hydroxyethyl)amino]ethylamino]-N-pentadecylpropanamide;3-[2-[2-hydroxyethyl(propyl)amino]ethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
CID 161095929
1-[2-(2-hydroxyethylamino)ethyl-(3-oxoheptyl)amino]heptan-3-one
CID 58040518
N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide
CID 58105699
2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide
CID 167513354
3-[2-aminoethyl(2-hydroxyethyl)amino]-N-methylpropanamide;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]ethyl]amino]propanamide;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-[2-(2-hydroxyethylamino)ethyl]amino]propanamide;N-dodecyl-6-[[3-(dodecylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]hexanamide;N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 123694229
acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol
CID 173116618
N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(3-methylpentan-3-yl)amino]propanamide
CID 146205305
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide?
The IUPAC name of 3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide (CID 90920758) is 3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide.
What is the SMILES notation for 3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide?
The canonical SMILES for 3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide is CCC(C)(C)CC(C)(C)CNC(=O)CCN(CCO)CCNCCO.
What is the InChIKey of 3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide?
The InChIKey is FFOXZPLRLJQBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3O3/c1-6-18(2,3)15-19(4,5)16-21-17(25)7-10-22(12-14-24)11-8-20-9-13-23/h20,23-24H,6-16H2,1-5H3,(H,21,25).
What are the key properties of 3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide?
3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide has a molecular weight of 359.56 g/mol, XLogP of 1.22, 15 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide is sourced from PubChem (CID 90920758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).