N,N-dihexyl-2-methoxyacetamide

C15H31NO2 — CID 533182

IUPACN,N-dihexyl-2-methoxyacetamide
SMILESCCCCCCN(CCCCCC)C(=O)COC
InChIInChI=1S/C15H31NO2/c1-4-6-8-10-12-16(15(17)14-18-3)13-11-9-7-5-2/h4-14H2,1-3H3
InChIKeyFPALQRVJINGISK-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.62
Rot. Bonds12

About N,N-dihexyl-2-methoxyacetamide

N,N-dihexyl-2-methoxyacetamide (PubChem CID 533182) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N,N-dihexyl-2-methoxyacetamide.

Molecular Properties

Compound NameN,N-dihexyl-2-methoxyacetamide
PubChem CID533182
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN,N-dihexyl-2-methoxyacetamide
SMILESCCCCCCN(CCCCCC)C(=O)COC
InChIInChI=1S/C15H31NO2/c1-4-6-8-10-12-16(15(17)14-18-3)13-11-9-7-5-2/h4-14H2,1-3H3
InChIKeyFPALQRVJINGISK-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-2-methoxyacetamide?
The IUPAC name of N,N-dihexyl-2-methoxyacetamide (CID 533182) is N,N-dihexyl-2-methoxyacetamide.
What is the SMILES notation for N,N-dihexyl-2-methoxyacetamide?
The canonical SMILES for N,N-dihexyl-2-methoxyacetamide is CCCCCCN(CCCCCC)C(=O)COC.
What is the InChIKey of N,N-dihexyl-2-methoxyacetamide?
The InChIKey is FPALQRVJINGISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-6-8-10-12-16(15(17)14-18-3)13-11-9-7-5-2/h4-14H2,1-3H3.
What are the key properties of N,N-dihexyl-2-methoxyacetamide?
N,N-dihexyl-2-methoxyacetamide has a molecular weight of 257.42 g/mol, XLogP of 3.62, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-2-methoxyacetamide is sourced from PubChem (CID 533182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).