(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride

C14H21ClN2O2 — CID 119759945

IUPAC(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NC1COc2ccccc21.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-14(2,3)12(15)13(17)16-10-8-18-11-7-5-4-6-9(10)11;/h4-7,10,12H,8,15H2,1-3H3,(H,16,17);1H/t10?,12-;/m1./s1
InChIKeyIRYLEEHDVQMUAX-ULIKACSMSA-N
MW284.79 g/mol
LogP2.03
Rot. Bonds2

About (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119759945) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride
PubChem CID119759945
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NC1COc2ccccc21.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-14(2,3)12(15)13(17)16-10-8-18-11-7-5-4-6-9(10)11;/h4-7,10,12H,8,15H2,1-3H3,(H,16,17);1H/t10?,12-;/m1./s1
InChIKeyIRYLEEHDVQMUAX-ULIKACSMSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride (CID 119759945) is (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride is CC(C)(C)[C@H](N)C(=O)NC1COc2ccccc21.Cl.
What is the InChIKey of (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is IRYLEEHDVQMUAX-ULIKACSMSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-14(2,3)12(15)13(17)16-10-8-18-11-7-5-4-6-9(10)11;/h4-7,10,12H,8,15H2,1-3H3,(H,16,17);1H/t10?,12-;/m1./s1.
What are the key properties of (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119759945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).