2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide

C13H27NO3 — CID 86977751

IUPAC2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide
SMILESCOCCOCC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C13H27NO3/c1-11(2)6-5-7-12(3)14-13(15)10-17-9-8-16-4/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyVFZYXGFWHGVKIL-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.98
Rot. Bonds10

About 2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide

2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide (PubChem CID 86977751) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide
PubChem CID86977751
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide
SMILESCOCCOCC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C13H27NO3/c1-11(2)6-5-7-12(3)14-13(15)10-17-9-8-16-4/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyVFZYXGFWHGVKIL-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethylhexyl diglycolamide
CID 129831472
2-methoxy-N-(2-propylcyclohexyl)acetamide
CID 56824749
2-ethoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide
CID 71921173
2-methoxy-N-[(2R)-octan-2-yl]acetamide
CID 24179219
N-[(2R)-heptan-2-yl]-2-methoxyacetamide
CID 46850472
N-[(1R)-1-cyclohexylethyl]-2-methoxyacetamide
CID 81385907
N-[(2S)-heptan-2-yl]-2-methoxyacetamide
CID 124487111
Ethylhexyl diglycolamide
CID 129821394
N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990297
2-methoxy-N-octan-2-ylacetamide
CID 24179215
N-heptan-2-yl-2-methoxyacetamide
CID 60653861
N-cycloheptyl-2-ethoxyacetamide
CID 4276266

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide (CID 86977751) is 2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide is COCCOCC(=O)NC(C)CCCC(C)C.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is VFZYXGFWHGVKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-11(2)6-5-7-12(3)14-13(15)10-17-9-8-16-4/h11-12H,5-10H2,1-4H3,(H,14,15).
What are the key properties of 2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide?
2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 245.36 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 86977751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).