N-[3-[acetyl(but-3-enyl)amino]propyl]acetamide

C11H20N2O2 — CID 582076

IUPACN-[3-[acetyl(but-3-enyl)amino]propyl]acetamide
SMILESC=CCCN(CCCNC(C)=O)C(C)=O
InChIInChI=1S/C11H20N2O2/c1-4-5-8-13(11(3)15)9-6-7-12-10(2)14/h4H,1,5-9H2,2-3H3,(H,12,14)
InChIKeyAWPSCGFBRUEHIM-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.94
Rot. Bonds7

About N-[3-[acetyl(but-3-enyl)amino]propyl]acetamide

N-[3-[acetyl(but-3-enyl)amino]propyl]acetamide (PubChem CID 582076) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[3-[acetyl(but-3-enyl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[acetyl(but-3-enyl)amino]propyl]acetamide
PubChem CID582076
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[3-[acetyl(but-3-enyl)amino]propyl]acetamide
SMILESC=CCCN(CCCNC(C)=O)C(C)=O
InChIInChI=1S/C11H20N2O2/c1-4-5-8-13(11(3)15)9-6-7-12-10(2)14/h4H,1,5-9H2,2-3H3,(H,12,14)
InChIKeyAWPSCGFBRUEHIM-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(but-3-enyl)amino]propyl]acetamide?
The IUPAC name of N-[3-[acetyl(but-3-enyl)amino]propyl]acetamide (CID 582076) is N-[3-[acetyl(but-3-enyl)amino]propyl]acetamide.
What is the SMILES notation for N-[3-[acetyl(but-3-enyl)amino]propyl]acetamide?
The canonical SMILES for N-[3-[acetyl(but-3-enyl)amino]propyl]acetamide is C=CCCN(CCCNC(C)=O)C(C)=O.
What is the InChIKey of N-[3-[acetyl(but-3-enyl)amino]propyl]acetamide?
The InChIKey is AWPSCGFBRUEHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-5-8-13(11(3)15)9-6-7-12-10(2)14/h4H,1,5-9H2,2-3H3,(H,12,14).
What are the key properties of N-[3-[acetyl(but-3-enyl)amino]propyl]acetamide?
N-[3-[acetyl(but-3-enyl)amino]propyl]acetamide has a molecular weight of 212.29 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(but-3-enyl)amino]propyl]acetamide is sourced from PubChem (CID 582076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).