4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide

C16H32N2O4 — CID 59074160

IUPAC4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide
SMILESCOCCCC(=O)NCCCCC(C)NC(=O)CCCOC
InChIInChI=1S/C16H32N2O4/c1-14(18-16(20)10-7-13-22-3)8-4-5-11-17-15(19)9-6-12-21-2/h14H,4-13H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUEELUBJHCYQHHB-UHFFFAOYSA-N
MW316.44 g/mol
LogP1.63
Rot. Bonds14

About 4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide

4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide (PubChem CID 59074160) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide.

Molecular Properties

Compound Name4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide
PubChem CID59074160
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Name4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide
SMILESCOCCCC(=O)NCCCCC(C)NC(=O)CCCOC
InChIInChI=1S/C16H32N2O4/c1-14(18-16(20)10-7-13-22-3)8-4-5-11-17-15(19)9-6-12-21-2/h14H,4-13H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUEELUBJHCYQHHB-UHFFFAOYSA-N
XLogP1.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(4-methoxybutylamino)-5-oxopentanoate
CID 87688310
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
5-(5-methoxypentylcarbamoylamino)hexanoic acid
CID 114131677
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-(3-methoxypropyl)-4-sulfanylbutanamide
CID 58311886
ethane;methane;N-[5-(propanoylamino)hexyl]propanamide
CID 159658097
2-(4-methoxybutylamino)-N-pentan-2-ylacetamide
CID 60976896
N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide
CID 115712027
6-hydroxy-N-(3-methoxypropyl)hexanamide
CID 177359571
N'-(3-methoxypropyl)decanediamide
CID 89083408

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide?
The IUPAC name of 4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide (CID 59074160) is 4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide.
What is the SMILES notation for 4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide?
The canonical SMILES for 4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide is COCCCC(=O)NCCCCC(C)NC(=O)CCCOC.
What is the InChIKey of 4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide?
The InChIKey is UEELUBJHCYQHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-14(18-16(20)10-7-13-22-3)8-4-5-11-17-15(19)9-6-12-21-2/h14H,4-13H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide?
4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide has a molecular weight of 316.44 g/mol, XLogP of 1.63, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide is sourced from PubChem (CID 59074160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).