4-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxybutanamide

C12H22N2O2 — CID 103155721

IUPAC4-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC1CC=CCC1
InChIInChI=1S/C12H22N2O2/c1-16-11(8-13)7-12(15)14-9-10-5-3-2-4-6-10/h2-3,10-11H,4-9,13H2,1H3,(H,14,15)
InChIKeySTRWGYCQJOJUOW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.82
Rot. Bonds6

About 4-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxybutanamide

4-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxybutanamide (PubChem CID 103155721) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxybutanamide
PubChem CID103155721
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC1CC=CCC1
InChIInChI=1S/C12H22N2O2/c1-16-11(8-13)7-12(15)14-9-10-5-3-2-4-6-10/h2-3,10-11H,4-9,13H2,1H3,(H,14,15)
InChIKeySTRWGYCQJOJUOW-UHFFFAOYSA-N
XLogP0.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.82
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-ylmethyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxybutanamide (CID 103155721) is 4-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxybutanamide is COC(CN)CC(=O)NCC1CC=CCC1.
What is the InChIKey of 4-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxybutanamide?
The InChIKey is STRWGYCQJOJUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-11(8-13)7-12(15)14-9-10-5-3-2-4-6-10/h2-3,10-11H,4-9,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxybutanamide?
4-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxybutanamide has a molecular weight of 226.32 g/mol, XLogP of 0.82, 6 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-ylmethyl)-3-methoxybutanamide is sourced from PubChem (CID 103155721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).