N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide

C11H20N2O3 — CID 145097689

IUPACN-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide
SMILESC/C=C/[C@@H](OC)[C@H](CNC(C)=O)NC(C)=O
InChIInChI=1S/C11H20N2O3/c1-5-6-11(16-4)10(13-9(3)15)7-12-8(2)14/h5-6,10-11H,7H2,1-4H3,(H,12,14)(H,13,15)/b6-5+/t10-,11+/m0/s1
InChIKeyZFVBSTASZHZLLU-PFDYWKIBSA-N
MW228.29 g/mol
LogP0.22
Rot. Bonds6

About N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide

N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide (PubChem CID 145097689) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide.

Molecular Properties

Compound NameN-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide
PubChem CID145097689
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide
SMILESC/C=C/[C@@H](OC)[C@H](CNC(C)=O)NC(C)=O
InChIInChI=1S/C11H20N2O3/c1-5-6-11(16-4)10(13-9(3)15)7-12-8(2)14/h5-6,10-11H,7H2,1-4H3,(H,12,14)(H,13,15)/b6-5+/t10-,11+/m0/s1
InChIKeyZFVBSTASZHZLLU-PFDYWKIBSA-N
XLogP0.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.22
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

N-[(1S,5R,6R)-6-amino-5-pentan-3-yloxycyclohex-3-en-1-yl]-2,2-difluoroacetamide
CID 90374673
N-(6-acetamido-6-propan-2-yloxycyclohexa-2,4-dien-1-yl)acetamide
CID 67816039
N-[(1R,2R)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 68388014
N-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 68789403
N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide
CID 69401741
N-[(1R,2R,6S)-2-pentan-3-yloxy-6-(prop-2-enylamino)cyclohex-3-en-1-yl]acetamide
CID 70022555
6-Methoxy-2-(propanoylamino)hex-4-enamide
CID 90723504
(2E)-N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]-3,7-dimethylocta-2,6-dienamide
CID 121391951
N-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide
CID 121391957
N-[(2S,3R)-2-acetamido-3-methoxypent-4-enyl]acetamide
CID 121391959
N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide
CID 121392103
N-[(2S,3R)-3-methoxy-1-(methylamino)pent-4-en-2-yl]acetamide
CID 121392423

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide?
The IUPAC name of N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide (CID 145097689) is N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide.
What is the SMILES notation for N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide?
The canonical SMILES for N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide is C/C=C/[C@@H](OC)[C@H](CNC(C)=O)NC(C)=O.
What is the InChIKey of N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide?
The InChIKey is ZFVBSTASZHZLLU-PFDYWKIBSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-6-11(16-4)10(13-9(3)15)7-12-8(2)14/h5-6,10-11H,7H2,1-4H3,(H,12,14)(H,13,15)/b6-5+/t10-,11+/m0/s1.
What are the key properties of N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide?
N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide has a molecular weight of 228.29 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide is sourced from PubChem (CID 145097689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).