4-(butanoylamino)butanamide

C8H16N2O2 — CID 3067787

IUPAC4-(butanoylamino)butanamide
SMILESCCCC(=O)NCCCC(N)=O
InChIInChI=1S/C8H16N2O2/c1-2-4-8(12)10-6-3-5-7(9)11/h2-6H2,1H3,(H2,9,11)(H,10,12)
InChIKeyRTYMPMXBDIUTRV-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.17
Rot. Bonds6

About 4-(butanoylamino)butanamide

4-(butanoylamino)butanamide (PubChem CID 3067787) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(butanoylamino)butanamide.

Molecular Properties

Compound Name4-(butanoylamino)butanamide
PubChem CID3067787
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-(butanoylamino)butanamide
SMILESCCCC(=O)NCCCC(N)=O
InChIInChI=1S/C8H16N2O2/c1-2-4-8(12)10-6-3-5-7(9)11/h2-6H2,1H3,(H2,9,11)(H,10,12)
InChIKeyRTYMPMXBDIUTRV-UHFFFAOYSA-N
XLogP0.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)butanamide?
The IUPAC name of 4-(butanoylamino)butanamide (CID 3067787) is 4-(butanoylamino)butanamide.
What is the SMILES notation for 4-(butanoylamino)butanamide?
The canonical SMILES for 4-(butanoylamino)butanamide is CCCC(=O)NCCCC(N)=O.
What is the InChIKey of 4-(butanoylamino)butanamide?
The InChIKey is RTYMPMXBDIUTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-4-8(12)10-6-3-5-7(9)11/h2-6H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of 4-(butanoylamino)butanamide?
4-(butanoylamino)butanamide has a molecular weight of 172.23 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)butanamide is sourced from PubChem (CID 3067787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).