2-acetamido-N-butan-2-ylprop-2-enamide

C9H16N2O2 — CID 45119268

IUPAC2-acetamido-N-butan-2-ylprop-2-enamide
SMILESC=C(NC(C)=O)C(=O)NC(C)CC
InChIInChI=1S/C9H16N2O2/c1-5-6(2)10-9(13)7(3)11-8(4)12/h6H,3,5H2,1-2,4H3,(H,10,13)(H,11,12)
InChIKeyBLTUACVQISNXOL-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.55
Rot. Bonds4

About 2-acetamido-N-butan-2-ylprop-2-enamide

2-acetamido-N-butan-2-ylprop-2-enamide (PubChem CID 45119268) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-acetamido-N-butan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N-butan-2-ylprop-2-enamide
PubChem CID45119268
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-acetamido-N-butan-2-ylprop-2-enamide
SMILESC=C(NC(C)=O)C(=O)NC(C)CC
InChIInChI=1S/C9H16N2O2/c1-5-6(2)10-9(13)7(3)11-8(4)12/h6H,3,5H2,1-2,4H3,(H,10,13)(H,11,12)
InChIKeyBLTUACVQISNXOL-UHFFFAOYSA-N
XLogP0.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
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-acetamido-N-butan-2-ylprop-2-enamide?
The IUPAC name of 2-acetamido-N-butan-2-ylprop-2-enamide (CID 45119268) is 2-acetamido-N-butan-2-ylprop-2-enamide.
What is the SMILES notation for 2-acetamido-N-butan-2-ylprop-2-enamide?
The canonical SMILES for 2-acetamido-N-butan-2-ylprop-2-enamide is C=C(NC(C)=O)C(=O)NC(C)CC.
What is the InChIKey of 2-acetamido-N-butan-2-ylprop-2-enamide?
The InChIKey is BLTUACVQISNXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-5-6(2)10-9(13)7(3)11-8(4)12/h6H,3,5H2,1-2,4H3,(H,10,13)(H,11,12).
What are the key properties of 2-acetamido-N-butan-2-ylprop-2-enamide?
2-acetamido-N-butan-2-ylprop-2-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-butan-2-ylprop-2-enamide is sourced from PubChem (CID 45119268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).