3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide

C13H28N2O4 — CID 106276148

IUPAC3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)OCCOCC(O)CNCC(C)(C)C(N)=O
InChIInChI=1S/C13H28N2O4/c1-10(2)19-6-5-18-8-11(16)7-15-9-13(3,4)12(14)17/h10-11,15-16H,5-9H2,1-4H3,(H2,14,17)
InChIKeyQLZHJIDLWBGFKP-UHFFFAOYSA-N
MW276.38 g/mol
LogP-0.11
Rot. Bonds11

About 3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide

3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide (PubChem CID 106276148) has the molecular formula C13H28N2O4 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide
PubChem CID106276148
Molecular FormulaC13H28N2O4
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)OCCOCC(O)CNCC(C)(C)C(N)=O
InChIInChI=1S/C13H28N2O4/c1-10(2)19-6-5-18-8-11(16)7-15-9-13(3,4)12(14)17/h10-11,15-16H,5-9H2,1-4H3,(H2,14,17)
InChIKeyQLZHJIDLWBGFKP-UHFFFAOYSA-N
XLogP-0.11
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 5-0.11
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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Related Compounds

3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide
CID 106276376
2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]oxyacetamide
CID 112673643
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
CID 106276229
3-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276298
3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276546
1-(ethoxyamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60702644
1-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60896578
3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106275918
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropanamide
CID 106275908
3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276235
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174317
1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 113313258

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide (CID 106276148) is 3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide is CC(C)OCCOCC(O)CNCC(C)(C)C(N)=O.
What is the InChIKey of 3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide?
The InChIKey is QLZHJIDLWBGFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4/c1-10(2)19-6-5-18-8-11(16)7-15-9-13(3,4)12(14)17/h10-11,15-16H,5-9H2,1-4H3,(H2,14,17).
What are the key properties of 3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide?
3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide has a molecular weight of 276.38 g/mol, XLogP of -0.11, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106276148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).