N-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide

C15H33N3O4 — CID 163666630

IUPACN-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide
SMILESCC(C)(C)NC(=O)CCNCCOCCNCCOCCO
InChIInChI=1S/C15H33N3O4/c1-15(2,3)18-14(20)4-5-16-6-10-21-11-7-17-8-12-22-13-9-19/h16-17,19H,4-13H2,1-3H3,(H,18,20)
InChIKeyIZAVRVVIZIBHNR-UHFFFAOYSA-N
MW319.45 g/mol
LogP-0.50
Rot. Bonds14

About N-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide

N-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide (PubChem CID 163666630) has the molecular formula C15H33N3O4 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide
PubChem CID163666630
Molecular FormulaC15H33N3O4
Molecular Weight319.45 g/mol
Exact Mass319.25
IUPAC NameN-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide
SMILESCC(C)(C)NC(=O)CCNCCOCCNCCOCCO
InChIInChI=1S/C15H33N3O4/c1-15(2,3)18-14(20)4-5-16-6-10-21-11-7-17-8-12-22-13-9-19/h16-17,19H,4-13H2,1-3H3,(H,18,20)
InChIKeyIZAVRVVIZIBHNR-UHFFFAOYSA-N
XLogP-0.50
TPSA91.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 N-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide (CID 163666630) is N-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide is CC(C)(C)NC(=O)CCNCCOCCNCCOCCO.
What is the InChIKey of N-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide?
The InChIKey is IZAVRVVIZIBHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O4/c1-15(2,3)18-14(20)4-5-16-6-10-21-11-7-17-8-12-22-13-9-19/h16-17,19H,4-13H2,1-3H3,(H,18,20).
What are the key properties of N-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide?
N-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide has a molecular weight of 319.45 g/mol, XLogP of -0.50, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethylamino]propanamide is sourced from PubChem (CID 163666630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).