4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide

C11H20N2O2 — CID 103156097

IUPAC4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC1CC=CCC1
InChIInChI=1S/C11H20N2O2/c1-15-10(8-12)7-11(14)13-9-5-3-2-4-6-9/h2-3,9-10H,4-8,12H2,1H3,(H,13,14)
InChIKeyNUWKOUDEKPVYKO-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.58
Rot. Bonds5

About 4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide

4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide (PubChem CID 103156097) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide
PubChem CID103156097
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC1CC=CCC1
InChIInChI=1S/C11H20N2O2/c1-15-10(8-12)7-11(14)13-9-5-3-2-4-6-9/h2-3,9-10H,4-8,12H2,1H3,(H,13,14)
InChIKeyNUWKOUDEKPVYKO-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
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 4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide?
The IUPAC name of 4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide (CID 103156097) is 4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide is COC(CN)CC(=O)NC1CC=CCC1.
What is the InChIKey of 4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide?
The InChIKey is NUWKOUDEKPVYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-10(8-12)7-11(14)13-9-5-3-2-4-6-9/h2-3,9-10H,4-8,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide?
4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide has a molecular weight of 212.29 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide is sourced from PubChem (CID 103156097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).