2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide

C12H22N2O2 — CID 81101351

IUPAC2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NC1CC=CCC1
InChIInChI=1S/C12H22N2O2/c1-16-9-5-8-11(13)12(15)14-10-6-3-2-4-7-10/h2-3,10-11H,4-9,13H2,1H3,(H,14,15)
InChIKeyQXNQHIMYEBDMCL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.97
Rot. Bonds6

About 2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide

2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide (PubChem CID 81101351) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide
PubChem CID81101351
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NC1CC=CCC1
InChIInChI=1S/C12H22N2O2/c1-16-9-5-8-11(13)12(15)14-10-6-3-2-4-7-10/h2-3,10-11H,4-9,13H2,1H3,(H,14,15)
InChIKeyQXNQHIMYEBDMCL-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide?
The IUPAC name of 2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide (CID 81101351) is 2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide is COCCCC(N)C(=O)NC1CC=CCC1.
What is the InChIKey of 2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide?
The InChIKey is QXNQHIMYEBDMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-9-5-8-11(13)12(15)14-10-6-3-2-4-7-10/h2-3,10-11H,4-9,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide?
2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide has a molecular weight of 226.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohex-3-en-1-yl-5-methoxypentanamide is sourced from PubChem (CID 81101351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).