N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide

C12H26N2O4 — CID 106990312

IUPACN-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide
SMILESCOCCOCC(O)CNCC(=O)NC(C)(C)C
InChIInChI=1S/C12H26N2O4/c1-12(2,3)14-11(16)8-13-7-10(15)9-18-6-5-17-4/h10,13,15H,5-9H2,1-4H3,(H,14,16)
InChIKeyPFNBPDWYSRAXOW-UHFFFAOYSA-N
MW262.35 g/mol
LogP-0.49
Rot. Bonds9

About N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide

N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide (PubChem CID 106990312) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide
PubChem CID106990312
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC NameN-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide
SMILESCOCCOCC(O)CNCC(=O)NC(C)(C)C
InChIInChI=1S/C12H26N2O4/c1-12(2,3)14-11(16)8-13-7-10(15)9-18-6-5-17-4/h10,13,15H,5-9H2,1-4H3,(H,14,16)
InChIKeyPFNBPDWYSRAXOW-UHFFFAOYSA-N
XLogP-0.49
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 5-0.49
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

N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide
CID 106246865
N-tert-butyl-2-(2-hydroxybutylamino)acetamide
CID 115356599
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide
CID 107263051
N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)amino]acetamide
CID 63929849
N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 115356372
1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 106989915
1-(2-methoxyethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 106988982
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291988
N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide
CID 113219120
1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol
CID 106990485

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide (CID 106990312) is N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide is COCCOCC(O)CNCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide?
The InChIKey is PFNBPDWYSRAXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4/c1-12(2,3)14-11(16)8-13-7-10(15)9-18-6-5-17-4/h10,13,15H,5-9H2,1-4H3,(H,14,16).
What are the key properties of N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide?
N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide has a molecular weight of 262.35 g/mol, XLogP of -0.49, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide is sourced from PubChem (CID 106990312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).