2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide

C12H20N2O3 — CID 75391960

IUPAC2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide
SMILESCOCC(NC(=O)CC1=CCCCC1)C(N)=O
InChIInChI=1S/C12H20N2O3/c1-17-8-10(12(13)16)14-11(15)7-9-5-3-2-4-6-9/h5,10H,2-4,6-8H2,1H3,(H2,13,16)(H,14,15)
InChIKeyACGQZTABPMPHEZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.49
Rot. Bonds6

About 2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide

2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide (PubChem CID 75391960) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide.

Molecular Properties

Compound Name2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide
PubChem CID75391960
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide
SMILESCOCC(NC(=O)CC1=CCCCC1)C(N)=O
InChIInChI=1S/C12H20N2O3/c1-17-8-10(12(13)16)14-11(15)7-9-5-3-2-4-6-9/h5,10H,2-4,6-8H2,1H3,(H2,13,16)(H,14,15)
InChIKeyACGQZTABPMPHEZ-UHFFFAOYSA-N
XLogP0.49
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide?
The IUPAC name of 2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide (CID 75391960) is 2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide.
What is the SMILES notation for 2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide?
The canonical SMILES for 2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide is COCC(NC(=O)CC1=CCCCC1)C(N)=O.
What is the InChIKey of 2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide?
The InChIKey is ACGQZTABPMPHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-8-10(12(13)16)14-11(15)7-9-5-3-2-4-6-9/h5,10H,2-4,6-8H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide?
2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide has a molecular weight of 240.30 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide is sourced from PubChem (CID 75391960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).