N-(2-methoxyethyl)heptanamide

C10H21NO2 — CID 4245996

IUPACN-(2-methoxyethyl)heptanamide
SMILESCCCCCCC(=O)NCCOC
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-7-10(12)11-8-9-13-2/h3-9H2,1-2H3,(H,11,12)
InChIKeyGBCJFEZTXPPNOK-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds8

About N-(2-methoxyethyl)heptanamide

N-(2-methoxyethyl)heptanamide (PubChem CID 4245996) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)heptanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)heptanamide
PubChem CID4245996
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(2-methoxyethyl)heptanamide
SMILESCCCCCCC(=O)NCCOC
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-7-10(12)11-8-9-13-2/h3-9H2,1-2H3,(H,11,12)
InChIKeyGBCJFEZTXPPNOK-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
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

Palmitoylethanolamide
CID 4671
N-Stearoylethanolamine
CID 27902
Lauric acid monoethanolamide
CID 8899
N-Myristoylethanolamine
CID 8890
behenamide MEA
CID 3023585
Babassuamide monoethanolamide
CID 559169
eicosanoyl-EA
CID 3787294
Lauric isopropanolamide
CID 9903249
Pentadecanoyl-EA
CID 14455157
Caprylic monoisopropanolamide
CID 5463938
Capric monoisopropanolamide
CID 5463939
Capric monoethanolamide
CID 111739

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)heptanamide?
The IUPAC name of N-(2-methoxyethyl)heptanamide (CID 4245996) is N-(2-methoxyethyl)heptanamide.
What is the SMILES notation for N-(2-methoxyethyl)heptanamide?
The canonical SMILES for N-(2-methoxyethyl)heptanamide is CCCCCCC(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)heptanamide?
The InChIKey is GBCJFEZTXPPNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-5-6-7-10(12)11-8-9-13-2/h3-9H2,1-2H3,(H,11,12).
What are the key properties of N-(2-methoxyethyl)heptanamide?
N-(2-methoxyethyl)heptanamide has a molecular weight of 187.28 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)heptanamide is sourced from PubChem (CID 4245996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).