2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide

C13H22N2O3 — CID 123602723

IUPAC2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide
SMILESCC=CC(=CC)CNC(=O)C(COC)NC(C)=O
InChIInChI=1S/C13H22N2O3/c1-5-7-11(6-2)8-14-13(17)12(9-18-4)15-10(3)16/h5-7,12H,8-9H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyFRWFGNKQLSZKQG-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.78
Rot. Bonds7

About 2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide

2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide (PubChem CID 123602723) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide
PubChem CID123602723
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide
SMILESCC=CC(=CC)CNC(=O)C(COC)NC(C)=O
InChIInChI=1S/C13H22N2O3/c1-5-7-11(6-2)8-14-13(17)12(9-18-4)15-10(3)16/h5-7,12H,8-9H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyFRWFGNKQLSZKQG-UHFFFAOYSA-N
XLogP0.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide
CID 5459669
(2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide
CID 144692966
4-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 20589879
4-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one
CID 20589880
4-[(5,5-Dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 20589927
(6E,8S,11S)-11-amino-8-propan-2-yl-1-oxa-4,9-diazacyclododec-6-ene-5,10-dione
CID 53241921
(2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide
CID 87061145
(2R)-2-acetamido-N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide
CID 90261543
tert-butyl N-[(2R)-1-(cyclohexa-1,5-dien-1-ylmethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 90261544
2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide
CID 123745639
2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide
CID 123817681
2-acetamido-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-methoxypropanamide
CID 123897249

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide?
The IUPAC name of 2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide (CID 123602723) is 2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide.
What is the SMILES notation for 2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide?
The canonical SMILES for 2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide is CC=CC(=CC)CNC(=O)C(COC)NC(C)=O.
What is the InChIKey of 2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide?
The InChIKey is FRWFGNKQLSZKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-7-11(6-2)8-14-13(17)12(9-18-4)15-10(3)16/h5-7,12H,8-9H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide?
2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide has a molecular weight of 254.33 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide is sourced from PubChem (CID 123602723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).