N-(4-acetamidobutyl)butanamide

C10H20N2O2 — CID 110417477

IUPACN-(4-acetamidobutyl)butanamide
SMILESCCCC(=O)NCCCCNC(C)=O
InChIInChI=1S/C10H20N2O2/c1-3-6-10(14)12-8-5-4-7-11-9(2)13/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyPPBIJKCRQQGSRW-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.82
Rot. Bonds7

About N-(4-acetamidobutyl)butanamide

N-(4-acetamidobutyl)butanamide (PubChem CID 110417477) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(4-acetamidobutyl)butanamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)butanamide
PubChem CID110417477
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(4-acetamidobutyl)butanamide
SMILESCCCC(=O)NCCCCNC(C)=O
InChIInChI=1S/C10H20N2O2/c1-3-6-10(14)12-8-5-4-7-11-9(2)13/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyPPBIJKCRQQGSRW-UHFFFAOYSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.82
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

N-[5-[2-(5-acetamidopentyl)hydrazinyl]pentyl]butanamide
CID 57022282
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
5-acetamido-N-butylpentanamide
CID 123729472
6-acetamido-N-propylhexanamide
CID 60654879
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide
CID 121313484
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
ethane;N-(6-oxoheptyl)butanamide
CID 143878068
5-acetamido-N-ethylpentanamide
CID 145189248
N-pentadecylacetamide
CID 12009452
N-hexylacetamide
CID 24129
N-nonadecylacetamide
CID 54574805

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)butanamide?
The IUPAC name of N-(4-acetamidobutyl)butanamide (CID 110417477) is N-(4-acetamidobutyl)butanamide.
What is the SMILES notation for N-(4-acetamidobutyl)butanamide?
The canonical SMILES for N-(4-acetamidobutyl)butanamide is CCCC(=O)NCCCCNC(C)=O.
What is the InChIKey of N-(4-acetamidobutyl)butanamide?
The InChIKey is PPBIJKCRQQGSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-6-10(14)12-8-5-4-7-11-9(2)13/h3-8H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-(4-acetamidobutyl)butanamide?
N-(4-acetamidobutyl)butanamide has a molecular weight of 200.28 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)butanamide is sourced from PubChem (CID 110417477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).