6-methoxy-2-(propanoylamino)hex-4-enamide

C10H18N2O3 — CID 90723504

IUPAC6-methoxy-2-(propanoylamino)hex-4-enamide
SMILESCCC(=O)NC(CC=CCOC)C(N)=O
InChIInChI=1S/C10H18N2O3/c1-3-9(13)12-8(10(11)14)6-4-5-7-15-2/h4-5,8H,3,6-7H2,1-2H3,(H2,11,14)(H,12,13)
InChIKeyWJBXWEFIKYOGKY-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.04
Rot. Bonds7

About 6-methoxy-2-(propanoylamino)hex-4-enamide

6-methoxy-2-(propanoylamino)hex-4-enamide (PubChem CID 90723504) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 6-methoxy-2-(propanoylamino)hex-4-enamide.

Molecular Properties

Compound Name6-methoxy-2-(propanoylamino)hex-4-enamide
PubChem CID90723504
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name6-methoxy-2-(propanoylamino)hex-4-enamide
SMILESCCC(=O)NC(CC=CCOC)C(N)=O
InChIInChI=1S/C10H18N2O3/c1-3-9(13)12-8(10(11)14)6-4-5-7-15-2/h4-5,8H,3,6-7H2,1-2H3,(H2,11,14)(H,12,13)
InChIKeyWJBXWEFIKYOGKY-UHFFFAOYSA-N
XLogP-0.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.04
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

(Z)-2-(butanoylamino)-N-(3-fluoropropyl)-7-propoxynon-5-enamide
CID 138738679
(2S)-N-[(2S)-1-[[(E,3S)-6-methoxy-2,5-dimethylhex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-3,3-dimethyl-2-(methylamino)butanamide
CID 58669385
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide
CID 89421590
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide
CID 89426430
(2S)-N-[(2S)-1-[[(3S)-6-methoxy-2,5-dimethylhex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-3,3-dimethyl-2-(methylamino)butanamide
CID 90874775
N-[1-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]-1-oxopropan-2-yl]docosa-4,7,10,13,16,19-hexaenamide
CID 123598049
4,4-dimethylpent-2-enyl N-[(2S,3R)-1-amino-3-methyl-1-oxopent-4-en-2-yl]carbamate
CID 141754259
N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide
CID 145097689
(E,2S)-2-acetamido-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
CID 153306836
(E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
CID 153306838
(E,2S)-2-acetamido-N-(2-methylpropyl)-6-propoxyhex-4-enamide
CID 156566769
(E,2S)-2-acetamido-6-ethoxy-N-(2-methylpropyl)hex-4-enamide
CID 156566771

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(propanoylamino)hex-4-enamide?
The IUPAC name of 6-methoxy-2-(propanoylamino)hex-4-enamide (CID 90723504) is 6-methoxy-2-(propanoylamino)hex-4-enamide.
What is the SMILES notation for 6-methoxy-2-(propanoylamino)hex-4-enamide?
The canonical SMILES for 6-methoxy-2-(propanoylamino)hex-4-enamide is CCC(=O)NC(CC=CCOC)C(N)=O.
What is the InChIKey of 6-methoxy-2-(propanoylamino)hex-4-enamide?
The InChIKey is WJBXWEFIKYOGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-9(13)12-8(10(11)14)6-4-5-7-15-2/h4-5,8H,3,6-7H2,1-2H3,(H2,11,14)(H,12,13).
What are the key properties of 6-methoxy-2-(propanoylamino)hex-4-enamide?
6-methoxy-2-(propanoylamino)hex-4-enamide has a molecular weight of 214.26 g/mol, XLogP of -0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(propanoylamino)hex-4-enamide is sourced from PubChem (CID 90723504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).