2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide

C15H31NO2 — CID 134590765

IUPAC2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide
SMILESCCCCCCC(C)(CC)C(=O)NCCCOC
InChIInChI=1S/C15H31NO2/c1-5-7-8-9-11-15(3,6-2)14(17)16-12-10-13-18-4/h5-13H2,1-4H3,(H,16,17)
InChIKeyHPLIJQPLTQMPQK-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.53
Rot. Bonds11

About 2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide

2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide (PubChem CID 134590765) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide
PubChem CID134590765
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide
SMILESCCCCCCC(C)(CC)C(=O)NCCCOC
InChIInChI=1S/C15H31NO2/c1-5-7-8-9-11-15(3,6-2)14(17)16-12-10-13-18-4/h5-13H2,1-4H3,(H,16,17)
InChIKeyHPLIJQPLTQMPQK-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.53
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

methyl 3-[(2-ethyl-2-methyloctanoyl)amino]propanoate
CID 135208354
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
2-ethyl-N-hydroxy-2-methylpentadecanamide
CID 138558679
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide
CID 166929446
2,2-diiodo-N-(3-methoxypropyl)propanamide
CID 170194646
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide
CID 62834257
N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide
CID 150813708
2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide
CID 170250635
2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide
CID 129033928
heptadecyl 2-ethyl-2-methyldodecanoate
CID 175595439

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide?
The IUPAC name of 2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide (CID 134590765) is 2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide.
What is the SMILES notation for 2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide?
The canonical SMILES for 2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide is CCCCCCC(C)(CC)C(=O)NCCCOC.
What is the InChIKey of 2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide?
The InChIKey is HPLIJQPLTQMPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-7-8-9-11-15(3,6-2)14(17)16-12-10-13-18-4/h5-13H2,1-4H3,(H,16,17).
What are the key properties of 2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide?
2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide has a molecular weight of 257.42 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide is sourced from PubChem (CID 134590765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).