N-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide

C12H26N2O3 — CID 155445562

IUPACN-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide
SMILESCC(C)OCC(O)C(=O)NCCNC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-9(2)17-8-10(15)11(16)13-6-7-14-12(3,4)5/h9-10,14-15H,6-8H2,1-5H3,(H,13,16)
InChIKeyUSKLQBHUFIAUJF-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.28
Rot. Bonds7

About N-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide

N-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide (PubChem CID 155445562) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide
PubChem CID155445562
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC NameN-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide
SMILESCC(C)OCC(O)C(=O)NCCNC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-9(2)17-8-10(15)11(16)13-6-7-14-12(3,4)5/h9-10,14-15H,6-8H2,1-5H3,(H,13,16)
InChIKeyUSKLQBHUFIAUJF-UHFFFAOYSA-N
XLogP0.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide?
The IUPAC name of N-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide (CID 155445562) is N-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide is CC(C)OCC(O)C(=O)NCCNC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide?
The InChIKey is USKLQBHUFIAUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-9(2)17-8-10(15)11(16)13-6-7-14-12(3,4)5/h9-10,14-15H,6-8H2,1-5H3,(H,13,16).
What are the key properties of N-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide?
N-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide has a molecular weight of 246.35 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)ethyl]-2-hydroxy-3-propan-2-yloxypropanamide is sourced from PubChem (CID 155445562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).