2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide

C12H20N2O3 — CID 58637781

IUPAC2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide
SMILESC=CCC(NC(C)=O)C(=O)N[C@@H](C)CC(C)=O
InChIInChI=1S/C12H20N2O3/c1-5-6-11(14-10(4)16)12(17)13-8(2)7-9(3)15/h5,8,11H,1,6-7H2,2-4H3,(H,13,17)(H,14,16)/t8-,11?/m0/s1
InChIKeyLDVZZOVLDYEENH-YMNIQAILSA-N
MW240.30 g/mol
LogP0.55
Rot. Bonds7

About 2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide

2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide (PubChem CID 58637781) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide.

Molecular Properties

Compound Name2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide
PubChem CID58637781
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide
SMILESC=CCC(NC(C)=O)C(=O)N[C@@H](C)CC(C)=O
InChIInChI=1S/C12H20N2O3/c1-5-6-11(14-10(4)16)12(17)13-8(2)7-9(3)15/h5,8,11H,1,6-7H2,2-4H3,(H,13,17)(H,14,16)/t8-,11?/m0/s1
InChIKeyLDVZZOVLDYEENH-YMNIQAILSA-N
XLogP0.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, N-(2-oxo-5-hexenyl)-
CID 533893
N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]pent-4-enamide
CID 49871353
(2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide
CID 134988377
N-[2-(methylamino)-2-oxoethyl]pent-4-enamide
CID 176433233
2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pent-4-enamide
CID 81775135
N-(1-Acetyl-but-3-enyl)-isobutyramide
CID 21949598
2,2-Dimethyl-N-(1-propionyl-but-3-enyl)-propionamide
CID 21949646
N-[1-(2-aminoethylamino)-3-oxopent-4-en-2-yl]-N-prop-2-enoylprop-2-enamide
CID 22149977
N-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide
CID 22667903
N-methyl-2-(propanoylamino)pent-4-enamide
CID 22926605
2-Acetamidopent-4-enamide
CID 23273486
N-[(3S)-3-acetylhex-5-en-2-yl]acetamide
CID 54563011

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide?
The IUPAC name of 2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide (CID 58637781) is 2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide.
What is the SMILES notation for 2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide?
The canonical SMILES for 2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide is C=CCC(NC(C)=O)C(=O)N[C@@H](C)CC(C)=O.
What is the InChIKey of 2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide?
The InChIKey is LDVZZOVLDYEENH-YMNIQAILSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-6-11(14-10(4)16)12(17)13-8(2)7-9(3)15/h5,8,11H,1,6-7H2,2-4H3,(H,13,17)(H,14,16)/t8-,11?/m0/s1.
What are the key properties of 2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide?
2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide has a molecular weight of 240.30 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(2S)-4-oxopentan-2-yl]pent-4-enamide is sourced from PubChem (CID 58637781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).