ethane;7-methoxy-N-methylheptanamide

C11H25NO2 — CID 142389980

IUPACethane;7-methoxy-N-methylheptanamide
SMILESCC.CNC(=O)CCCCCCOC
InChIInChI=1S/C9H19NO2.C2H6/c1-10-9(11)7-5-3-4-6-8-12-2;1-2/h3-8H2,1-2H3,(H,10,11);1-2H3
InChIKeyFUVFHQLCSMNAFR-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.36
Rot. Bonds7

About ethane;7-methoxy-N-methylheptanamide

ethane;7-methoxy-N-methylheptanamide (PubChem CID 142389980) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;7-methoxy-N-methylheptanamide.

Molecular Properties

Compound Nameethane;7-methoxy-N-methylheptanamide
PubChem CID142389980
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Nameethane;7-methoxy-N-methylheptanamide
SMILESCC.CNC(=O)CCCCCCOC
InChIInChI=1S/C9H19NO2.C2H6/c1-10-9(11)7-5-3-4-6-8-12-2;1-2/h3-8H2,1-2H3,(H,10,11);1-2H3
InChIKeyFUVFHQLCSMNAFR-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of ethane;7-methoxy-N-methylheptanamide?
The IUPAC name of ethane;7-methoxy-N-methylheptanamide (CID 142389980) is ethane;7-methoxy-N-methylheptanamide.
What is the SMILES notation for ethane;7-methoxy-N-methylheptanamide?
The canonical SMILES for ethane;7-methoxy-N-methylheptanamide is CC.CNC(=O)CCCCCCOC.
What is the InChIKey of ethane;7-methoxy-N-methylheptanamide?
The InChIKey is FUVFHQLCSMNAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C2H6/c1-10-9(11)7-5-3-4-6-8-12-2;1-2/h3-8H2,1-2H3,(H,10,11);1-2H3.
What are the key properties of ethane;7-methoxy-N-methylheptanamide?
ethane;7-methoxy-N-methylheptanamide has a molecular weight of 203.33 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methoxy-N-methylheptanamide is sourced from PubChem (CID 142389980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).