2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide

C13H24N2O2 — CID 19064

IUPAC2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide
SMILESCC=CC(=O)N(CCC)C(CC)C(=O)N(C)C
InChIInChI=1S/C13H24N2O2/c1-6-9-12(16)15(10-7-2)11(8-3)13(17)14(4)5/h6,9,11H,7-8,10H2,1-5H3
InChIKeyCYZWCBZIBJLKCV-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.67
Rot. Bonds6

About 2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide

2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide (PubChem CID 19064) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide
PubChem CID19064
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide
SMILESCC=CC(=O)N(CCC)C(CC)C(=O)N(C)C
InChIInChI=1S/C13H24N2O2/c1-6-9-12(16)15(10-7-2)11(8-3)13(17)14(4)5/h6,9,11H,7-8,10H2,1-5H3
InChIKeyCYZWCBZIBJLKCV-UHFFFAOYSA-N
XLogP1.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide?
The IUPAC name of 2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide (CID 19064) is 2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide?
The canonical SMILES for 2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide is CC=CC(=O)N(CCC)C(CC)C(=O)N(C)C.
What is the InChIKey of 2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide?
The InChIKey is CYZWCBZIBJLKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-9-12(16)15(10-7-2)11(8-3)13(17)14(4)5/h6,9,11H,7-8,10H2,1-5H3.
What are the key properties of 2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide?
2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide has a molecular weight of 240.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 19064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).