N-[6-(butanoylamino)hexyl]butanamide

C14H28N2O2 — CID 5133798

IUPACN-[6-(butanoylamino)hexyl]butanamide
SMILESCCCC(=O)NCCCCCCNC(=O)CCC
InChIInChI=1S/C14H28N2O2/c1-3-9-13(17)15-11-7-5-6-8-12-16-14(18)10-4-2/h3-12H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyVLOWJRRWUWYFOJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.38
Rot. Bonds11

About N-[6-(butanoylamino)hexyl]butanamide

N-[6-(butanoylamino)hexyl]butanamide (PubChem CID 5133798) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[6-(butanoylamino)hexyl]butanamide.

Molecular Properties

Compound NameN-[6-(butanoylamino)hexyl]butanamide
PubChem CID5133798
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[6-(butanoylamino)hexyl]butanamide
SMILESCCCC(=O)NCCCCCCNC(=O)CCC
InChIInChI=1S/C14H28N2O2/c1-3-9-13(17)15-11-7-5-6-8-12-16-14(18)10-4-2/h3-12H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyVLOWJRRWUWYFOJ-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

16-(butanoylamino)hexadecanoic acid
CID 118711043
N-(6-iodohexyl)butanamide
CID 107848130
N-(4-acetamidobutyl)butanamide
CID 110417477
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
ethane;N-(6-oxoheptyl)butanamide
CID 143878068
N-[5-[2-(5-acetamidopentyl)hydrazinyl]pentyl]butanamide
CID 57022282
N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide
CID 167061555
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of N-[6-(butanoylamino)hexyl]butanamide?
The IUPAC name of N-[6-(butanoylamino)hexyl]butanamide (CID 5133798) is N-[6-(butanoylamino)hexyl]butanamide.
What is the SMILES notation for N-[6-(butanoylamino)hexyl]butanamide?
The canonical SMILES for N-[6-(butanoylamino)hexyl]butanamide is CCCC(=O)NCCCCCCNC(=O)CCC.
What is the InChIKey of N-[6-(butanoylamino)hexyl]butanamide?
The InChIKey is VLOWJRRWUWYFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-9-13(17)15-11-7-5-6-8-12-16-14(18)10-4-2/h3-12H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[6-(butanoylamino)hexyl]butanamide?
N-[6-(butanoylamino)hexyl]butanamide has a molecular weight of 256.39 g/mol, XLogP of 2.38, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butanoylamino)hexyl]butanamide is sourced from PubChem (CID 5133798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).