N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide

C10H21NO4 — CID 79255861

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC(CO)C(C)C
InChIInChI=1S/C10H21NO4/c1-8(2)9(6-12)11-10(13)7-15-5-4-14-3/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyJUCRDGDVKNZSME-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.22
Rot. Bonds8

About N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide

N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide (PubChem CID 79255861) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide
PubChem CID79255861
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC(CO)C(C)C
InChIInChI=1S/C10H21NO4/c1-8(2)9(6-12)11-10(13)7-15-5-4-14-3/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyJUCRDGDVKNZSME-UHFFFAOYSA-N
XLogP-0.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
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-aminoethoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79479783
N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide
CID 79252546
2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid
CID 79254836
methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate
CID 43422807
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-methoxyethoxy)acetamide
CID 103920046
N-butan-2-yl-2-(2-methoxyethoxy)acetamide
CID 60650985
2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053483
2-(2-methoxyethoxy)-N-pentan-2-ylacetamide
CID 103601639
2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 166950643
N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide
CID 102041361
2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
CID 22961397
2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide
CID 86977751

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide (CID 79255861) is N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is JUCRDGDVKNZSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-8(2)9(6-12)11-10(13)7-15-5-4-14-3/h8-9,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 219.28 g/mol, XLogP of -0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 79255861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).