(2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride

C12H25ClN2O2 — CID 69484822

IUPAC(2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride
SMILESCOCCNC(=O)[C@@H](N)CC1CCCCC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-16-8-7-14-12(15)11(13)9-10-5-3-2-4-6-10;/h10-11H,2-9,13H2,1H3,(H,14,15);1H/t11-;/m0./s1
InChIKeyVCWIEILJANDDLG-MERQFXBCSA-N
MW264.80 g/mol
LogP1.47
Rot. Bonds6

About (2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride

(2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride (PubChem CID 69484822) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride
PubChem CID69484822
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name(2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride
SMILESCOCCNC(=O)[C@@H](N)CC1CCCCC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-16-8-7-14-12(15)11(13)9-10-5-3-2-4-6-10;/h10-11H,2-9,13H2,1H3,(H,14,15);1H/t11-;/m0./s1
InChIKeyVCWIEILJANDDLG-MERQFXBCSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.47
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 (2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride (CID 69484822) is (2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride is COCCNC(=O)[C@@H](N)CC1CCCCC1.Cl.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride?
The InChIKey is VCWIEILJANDDLG-MERQFXBCSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-16-8-7-14-12(15)11(13)9-10-5-3-2-4-6-10;/h10-11H,2-9,13H2,1H3,(H,14,15);1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride?
(2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-N-(2-methoxyethyl)propanamide;hydrochloride is sourced from PubChem (CID 69484822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).