2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide

C9H20N2O3 — CID 106237934

IUPAC2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide
SMILESCC(C)(O)CCNCCOCC(N)=O
InChIInChI=1S/C9H20N2O3/c1-9(2,13)3-4-11-5-6-14-7-8(10)12/h11,13H,3-7H2,1-2H3,(H2,10,12)
InChIKeySJNCWBRHORGZBC-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.76
Rot. Bonds8

About 2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide

2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide (PubChem CID 106237934) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide
PubChem CID106237934
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide
SMILESCC(C)(O)CCNCCOCC(N)=O
InChIInChI=1S/C9H20N2O3/c1-9(2,13)3-4-11-5-6-14-7-8(10)12/h11,13H,3-7H2,1-2H3,(H2,10,12)
InChIKeySJNCWBRHORGZBC-UHFFFAOYSA-N
XLogP-0.76
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.76
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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Related Compounds

2-[2-(propylamino)ethoxy]acetamide
CID 62336867
4-[2-(2-methoxyethoxy)ethylamino]-2-methylbutan-2-ol
CID 79361268
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751
2-[2-(2-methylpropylamino)ethoxy]acetamide
CID 106235482
3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide
CID 106276316
tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
CID 103658687
2-[2-(methylamino)ethoxy]acetamide;hydrochloride
CID 90229092
2-[2-(2-methylidenebutylamino)ethoxy]acetamide
CID 106237732
2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide
CID 106237612
2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide
CID 114162393
methyl 3-[(3-hydroxy-3-methylbutyl)amino]propanoate
CID 79360276
4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid
CID 106238465

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide (CID 106237934) is 2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide is CC(C)(O)CCNCCOCC(N)=O.
What is the InChIKey of 2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide?
The InChIKey is SJNCWBRHORGZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(2,13)3-4-11-5-6-14-7-8(10)12/h11,13H,3-7H2,1-2H3,(H2,10,12).
What are the key properties of 2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide?
2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide has a molecular weight of 204.27 g/mol, XLogP of -0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide is sourced from PubChem (CID 106237934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).