8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide

C18H41N3O5 — CID 158050690

IUPAC8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide
SMILESC.C.CNC(=O)CCCCCCCO.CNC(=O)CCOCC(=O)NC
InChIInChI=1S/C9H19NO2.C7H14N2O3.2CH4/c1-10-9(12)7-5-3-2-4-6-8-11;1-8-6(10)3-4-12-5-7(11)9-2;;/h11H,2-8H2,1H3,(H,10,12);3-5H2,1-2H3,(H,8,10)(H,9,11);2*1H4
InChIKeyFJLFNLZGBMHJNA-UHFFFAOYSA-N
MW379.54 g/mol
LogP1.22
Rot. Bonds12

About 8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide

8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide (PubChem CID 158050690) has the molecular formula C18H41N3O5 and a molecular weight of 379.54 g/mol. Its IUPAC name is 8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide.

Molecular Properties

Compound Name8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide
PubChem CID158050690
Molecular FormulaC18H41N3O5
Molecular Weight379.54 g/mol
Exact Mass379.30
IUPAC Name8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide
SMILESC.C.CNC(=O)CCCCCCCO.CNC(=O)CCOCC(=O)NC
InChIInChI=1S/C9H19NO2.C7H14N2O3.2CH4/c1-10-9(12)7-5-3-2-4-6-8-11;1-8-6(10)3-4-12-5-7(11)9-2;;/h11H,2-8H2,1H3,(H,10,12);3-5H2,1-2H3,(H,8,10)(H,9,11);2*1H4
InChIKeyFJLFNLZGBMHJNA-UHFFFAOYSA-N
XLogP1.22
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.54
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methane;2-[2-(4-methoxybutoxy)ethoxy]-N-methylacetamide;6-(4-methoxybutoxy)-N-methylhexanamide;2-[3-(4-methoxybutoxy)propoxy]-N-methylacetamide;3-[4-(2-methoxyethoxy)butoxy]-N-methylpropanamide;5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentanamide;8-(2-methoxyethoxy)-N-methyloctanamide;2-[5-(2-methoxyethoxy)pentoxy]-N-methylacetamide;4-[3-(2-methoxyethoxy)propoxy]-N-methylbutanamide;2-[2-(5-methoxypentoxy)ethoxy]-N-methylacetamide;5-(5-methoxypentoxy)-N-methylpentanamide;2-[4-(3-methoxypropoxy)butoxy]-N-methylacetamide;7-(3-methoxypropoxy)-N-methylheptanamide
CID 157408835
2-(4-methoxybutoxy)-N-methylacetamide;4-(4-methoxybutoxy)-N-methylbutanamide;3-(4-methoxybutoxy)-N-methylpropanamide;2-[4-(2-methoxyethoxy)butoxy]-N-methylacetamide;3-[2-(2-methoxyethoxy)ethoxy]-N-methylpropanamide;4-(2-methoxyethoxy)-N-methylbutanamide;6-(2-methoxyethoxy)-N-methylhexanamide;5-(2-methoxyethoxy)-N-methylpentanamide;2-[3-(2-methoxyethoxy)propoxy]-N-methylacetamide;2-(6-methoxyhexoxy)-N-methylacetamide;2-methoxy-N-methylacetamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;2-(5-methoxypentoxy)-N-methylacetamide;3-(5-methoxypentoxy)-N-methylpropanamide;2-[2-(3-methoxypropoxy)ethoxy]-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;5-(3-methoxypropoxy)-N-methylpentanamide;3-(3-methoxypropoxy)-N-methylpropanamide
CID 167686196
2-(4-methoxybutoxy)-N-methylacetamide;3-(4-methoxybutoxy)-N-methylpropanamide;3-[2-(2-methoxyethoxy)ethoxy]-N-methylpropanamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;2-[3-(2-methoxyethoxy)propoxy]-N-methylacetamide;2-(6-methoxyhexoxy)-N-methylacetamide;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(5-methoxypentoxy)-N-methylacetamide;2-[2-(3-methoxypropoxy)ethoxy]-N-methylacetamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide
CID 158926562
2-(4-methoxybutoxy)-N-methylacetamide;3-(4-methoxybutoxy)-N-methylpropanamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(5-methoxypentoxy)-N-methylacetamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide
CID 159265781
2-(4-methoxybutoxy)-N-methylacetamide;3-(4-methoxybutoxy)-N-methylpropanamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;2-[3-(2-methoxyethoxy)propoxy]-N-methylacetamide;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(5-methoxypentoxy)-N-methylacetamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide
CID 157428278
N,N'-dimethylheptanediamide
CID 15166696
2-[2-(2-hydroxyethoxy)ethoxy]-N-methylacetamide
CID 142368848
20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid
CID 154937129
ethane;7-methoxy-N-methylheptanamide
CID 142389980
2-(2-fluoroethoxy)-N-methylacetamide
CID 155326209
5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 79209725
ethane;N-methyltetradecanamide
CID 153349961

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide?
The IUPAC name of 8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide (CID 158050690) is 8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide.
What is the SMILES notation for 8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide?
The canonical SMILES for 8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide is C.C.CNC(=O)CCCCCCCO.CNC(=O)CCOCC(=O)NC.
What is the InChIKey of 8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide?
The InChIKey is FJLFNLZGBMHJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C7H14N2O3.2CH4/c1-10-9(12)7-5-3-2-4-6-8-11;1-8-6(10)3-4-12-5-7(11)9-2;;/h11H,2-8H2,1H3,(H,10,12);3-5H2,1-2H3,(H,8,10)(H,9,11);2*1H4.
What are the key properties of 8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide?
8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide has a molecular weight of 379.54 g/mol, XLogP of 1.22, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide is sourced from PubChem (CID 158050690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).