2-methoxy-N-(6-methylhept-6-enyl)acetamide

C11H21NO2 — CID 166885513

IUPAC2-methoxy-N-(6-methylhept-6-enyl)acetamide
SMILESC=C(C)CCCCCNC(=O)COC
InChIInChI=1S/C11H21NO2/c1-10(2)7-5-4-6-8-12-11(13)9-14-3/h1,4-9H2,2-3H3,(H,12,13)
InChIKeyNVYYXFMDBZOJDJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.89
Rot. Bonds8

About 2-methoxy-N-(6-methylhept-6-enyl)acetamide

2-methoxy-N-(6-methylhept-6-enyl)acetamide (PubChem CID 166885513) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methoxy-N-(6-methylhept-6-enyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(6-methylhept-6-enyl)acetamide
PubChem CID166885513
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methoxy-N-(6-methylhept-6-enyl)acetamide
SMILESC=C(C)CCCCCNC(=O)COC
InChIInChI=1S/C11H21NO2/c1-10(2)7-5-4-6-8-12-11(13)9-14-3/h1,4-9H2,2-3H3,(H,12,13)
InChIKeyNVYYXFMDBZOJDJ-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(6-methylhept-6-enyl)acetamide?
The IUPAC name of 2-methoxy-N-(6-methylhept-6-enyl)acetamide (CID 166885513) is 2-methoxy-N-(6-methylhept-6-enyl)acetamide.
What is the SMILES notation for 2-methoxy-N-(6-methylhept-6-enyl)acetamide?
The canonical SMILES for 2-methoxy-N-(6-methylhept-6-enyl)acetamide is C=C(C)CCCCCNC(=O)COC.
What is the InChIKey of 2-methoxy-N-(6-methylhept-6-enyl)acetamide?
The InChIKey is NVYYXFMDBZOJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)7-5-4-6-8-12-11(13)9-14-3/h1,4-9H2,2-3H3,(H,12,13).
What are the key properties of 2-methoxy-N-(6-methylhept-6-enyl)acetamide?
2-methoxy-N-(6-methylhept-6-enyl)acetamide has a molecular weight of 199.29 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(6-methylhept-6-enyl)acetamide is sourced from PubChem (CID 166885513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).