N-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide

C10H18N2O3 — CID 22667903

IUPACN-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide
SMILESC=CCC(NC(=O)CC)C(=O)N(C)OC
InChIInChI=1S/C10H18N2O3/c1-5-7-8(11-9(13)6-2)10(14)12(3)15-4/h5,8H,1,6-7H2,2-4H3,(H,11,13)
InChIKeyAEJLTLCTZQXKEU-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.48
Rot. Bonds6

About N-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide

N-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide (PubChem CID 22667903) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide
PubChem CID22667903
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide
SMILESC=CCC(NC(=O)CC)C(=O)N(C)OC
InChIInChI=1S/C10H18N2O3/c1-5-7-8(11-9(13)6-2)10(14)12(3)15-4/h5,8H,1,6-7H2,2-4H3,(H,11,13)
InChIKeyAEJLTLCTZQXKEU-UHFFFAOYSA-N
XLogP0.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide?
The IUPAC name of N-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide (CID 22667903) is N-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide.
What is the SMILES notation for N-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide?
The canonical SMILES for N-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide is C=CCC(NC(=O)CC)C(=O)N(C)OC.
What is the InChIKey of N-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide?
The InChIKey is AEJLTLCTZQXKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-5-7-8(11-9(13)6-2)10(14)12(3)15-4/h5,8H,1,6-7H2,2-4H3,(H,11,13).
What are the key properties of N-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide?
N-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide has a molecular weight of 214.26 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide is sourced from PubChem (CID 22667903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).