3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide

C15H31N3O2 — CID 89061424

IUPAC3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide
SMILESCC(C)=CC(C)(C)CNC(=O)CCNCCNCCO
InChIInChI=1S/C15H31N3O2/c1-13(2)11-15(3,4)12-18-14(20)5-6-16-7-8-17-9-10-19/h11,16-17,19H,5-10,12H2,1-4H3,(H,18,20)
InChIKeyONRGFKJTSYMQMM-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.66
Rot. Bonds11

About 3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide

3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide (PubChem CID 89061424) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide.

Molecular Properties

Compound Name3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide
PubChem CID89061424
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide
SMILESCC(C)=CC(C)(C)CNC(=O)CCNCCNCCO
InChIInChI=1S/C15H31N3O2/c1-13(2)11-15(3,4)12-18-14(20)5-6-16-7-8-17-9-10-19/h11,16-17,19H,5-10,12H2,1-4H3,(H,18,20)
InChIKeyONRGFKJTSYMQMM-UHFFFAOYSA-N
XLogP0.66
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide?
The IUPAC name of 3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide (CID 89061424) is 3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide.
What is the SMILES notation for 3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide?
The canonical SMILES for 3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide is CC(C)=CC(C)(C)CNC(=O)CCNCCNCCO.
What is the InChIKey of 3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide?
The InChIKey is ONRGFKJTSYMQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-13(2)11-15(3,4)12-18-14(20)5-6-16-7-8-17-9-10-19/h11,16-17,19H,5-10,12H2,1-4H3,(H,18,20).
What are the key properties of 3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide?
3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide has a molecular weight of 285.43 g/mol, XLogP of 0.66, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide is sourced from PubChem (CID 89061424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).