(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride

C14H23ClN2O3 — CID 119286185

IUPAC(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
SMILESCCOc1cc(NC(=O)[C@@H](N)C(C)C)ccc1OC.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-5-19-12-8-10(6-7-11(12)18-4)16-14(17)13(15)9(2)3;/h6-9,13H,5,15H2,1-4H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyDBHDSMVGNGAHLI-ZOWNYOTGSA-N
MW302.80 g/mol
LogP2.44
Rot. Bonds6

About (2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride

(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride (PubChem CID 119286185) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
PubChem CID119286185
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
SMILESCCOc1cc(NC(=O)[C@@H](N)C(C)C)ccc1OC.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-5-19-12-8-10(6-7-11(12)18-4)16-14(17)13(15)9(2)3;/h6-9,13H,5,15H2,1-4H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyDBHDSMVGNGAHLI-ZOWNYOTGSA-N
XLogP2.44
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 43696167
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
CID 55104746
(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 61179599
(2S)-2-amino-N-(3,4-dipropoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119266014
2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 54862511
(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119688392
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119286170
N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride
CID 119278957

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride (CID 119286185) is (2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride is CCOc1cc(NC(=O)[C@@H](N)C(C)C)ccc1OC.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride?
The InChIKey is DBHDSMVGNGAHLI-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-5-19-12-8-10(6-7-11(12)18-4)16-14(17)13(15)9(2)3;/h6-9,13H,5,15H2,1-4H3,(H,16,17);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride?
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119286185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).