3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide

C11H20N2O2 — CID 106112694

IUPAC3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCC1CC=CCC1
InChIInChI=1S/C11H20N2O2/c1-15-10(7-12)11(14)13-8-9-5-3-2-4-6-9/h2-3,9-10H,4-8,12H2,1H3,(H,13,14)
InChIKeyKFAVFHDVMCYQNO-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.43
Rot. Bonds5

About 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide

3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide (PubChem CID 106112694) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide
PubChem CID106112694
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCC1CC=CCC1
InChIInChI=1S/C11H20N2O2/c1-15-10(7-12)11(14)13-8-9-5-3-2-4-6-9/h2-3,9-10H,4-8,12H2,1H3,(H,13,14)
InChIKeyKFAVFHDVMCYQNO-UHFFFAOYSA-N
XLogP0.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.43
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 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide (CID 106112694) is 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide is COC(CN)C(=O)NCC1CC=CCC1.
What is the InChIKey of 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide?
The InChIKey is KFAVFHDVMCYQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-10(7-12)11(14)13-8-9-5-3-2-4-6-9/h2-3,9-10H,4-8,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide?
3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide has a molecular weight of 212.29 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide is sourced from PubChem (CID 106112694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).