N-but-3-enylbutanamide

C8H15NO — CID 54459050

IUPACN-but-3-enylbutanamide
SMILESC=CCCNC(=O)CCC
InChIInChI=1S/C8H15NO/c1-3-5-7-9-8(10)6-4-2/h3H,1,4-7H2,2H3,(H,9,10)
InChIKeyCIJBEGZGXCCAFX-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds5

About N-but-3-enylbutanamide

N-but-3-enylbutanamide (PubChem CID 54459050) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-but-3-enylbutanamide.

Molecular Properties

Compound NameN-but-3-enylbutanamide
PubChem CID54459050
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-but-3-enylbutanamide
SMILESC=CCCNC(=O)CCC
InChIInChI=1S/C8H15NO/c1-3-5-7-9-8(10)6-4-2/h3H,1,4-7H2,2H3,(H,9,10)
InChIKeyCIJBEGZGXCCAFX-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-enyl-2-iodoacetamide
CID 86212568
N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide
CID 146625820
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
N-(2-aminoethyl)pent-4-enamide
CID 62679699
N-[2-(dimethylamino)ethyl]pent-4-enamide
CID 158602518
N-but-3-enyl-2-methylpropanamide
CID 3434507
N-(2-aminoethyl)butanamide;ethane
CID 143117924
N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 56621011
N-ethylbutanamide;methanimine
CID 142280316
N,N'-dipropyldecanediamide
CID 102239298
N-[3-(methylamino)propyl]butanamide
CID 43600791

Frequently Asked Questions

What is the IUPAC name of N-but-3-enylbutanamide?
The IUPAC name of N-but-3-enylbutanamide (CID 54459050) is N-but-3-enylbutanamide.
What is the SMILES notation for N-but-3-enylbutanamide?
The canonical SMILES for N-but-3-enylbutanamide is C=CCCNC(=O)CCC.
What is the InChIKey of N-but-3-enylbutanamide?
The InChIKey is CIJBEGZGXCCAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-7-9-8(10)6-4-2/h3H,1,4-7H2,2H3,(H,9,10).
What are the key properties of N-but-3-enylbutanamide?
N-but-3-enylbutanamide has a molecular weight of 141.21 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enylbutanamide is sourced from PubChem (CID 54459050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).