3-amino-N-(2-cyclohexyloxyethyl)butanamide

C12H24N2O2 — CID 63828834

IUPAC3-amino-N-(2-cyclohexyloxyethyl)butanamide
SMILESCC(N)CC(=O)NCCOC1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-10(13)9-12(15)14-7-8-16-11-5-3-2-4-6-11/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyMBGIKFLDNDLCFY-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.19
Rot. Bonds6

About 3-amino-N-(2-cyclohexyloxyethyl)butanamide

3-amino-N-(2-cyclohexyloxyethyl)butanamide (PubChem CID 63828834) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-N-(2-cyclohexyloxyethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclohexyloxyethyl)butanamide
PubChem CID63828834
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-amino-N-(2-cyclohexyloxyethyl)butanamide
SMILESCC(N)CC(=O)NCCOC1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-10(13)9-12(15)14-7-8-16-11-5-3-2-4-6-11/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyMBGIKFLDNDLCFY-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclohexyloxyethyl)butanamide?
The IUPAC name of 3-amino-N-(2-cyclohexyloxyethyl)butanamide (CID 63828834) is 3-amino-N-(2-cyclohexyloxyethyl)butanamide.
What is the SMILES notation for 3-amino-N-(2-cyclohexyloxyethyl)butanamide?
The canonical SMILES for 3-amino-N-(2-cyclohexyloxyethyl)butanamide is CC(N)CC(=O)NCCOC1CCCCC1.
What is the InChIKey of 3-amino-N-(2-cyclohexyloxyethyl)butanamide?
The InChIKey is MBGIKFLDNDLCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(13)9-12(15)14-7-8-16-11-5-3-2-4-6-11/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(2-cyclohexyloxyethyl)butanamide?
3-amino-N-(2-cyclohexyloxyethyl)butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclohexyloxyethyl)butanamide is sourced from PubChem (CID 63828834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).