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

C15H25ClN2O3 — CID 119688392

IUPAC(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1OC.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-6-20-11-8-7-10(9-12(11)19-5)17-14(18)13(16)15(2,3)4;/h7-9,13H,6,16H2,1-5H3,(H,17,18);1H/t13-;/m1./s1
InChIKeyTVOXRVKMHRQBAZ-BTQNPOSSSA-N
MW316.83 g/mol
LogP2.83
Rot. Bonds5

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

(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119688392) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
PubChem CID119688392
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Name(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1OC.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-6-20-11-8-7-10(9-12(11)19-5)17-14(18)13(16)15(2,3)4;/h7-9,13H,6,16H2,1-5H3,(H,17,18);1H/t13-;/m1./s1
InChIKeyTVOXRVKMHRQBAZ-BTQNPOSSSA-N
XLogP2.83
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119286185
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119
2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
(2S)-2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119717616
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 76893076
(2S)-2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 61154260
(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119865034
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919
(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928285
N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide
CID 86901200
4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid
CID 107208073

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride (CID 119688392) is (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride is CCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1OC.Cl.
What is the InChIKey of (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is TVOXRVKMHRQBAZ-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-6-20-11-8-7-10(9-12(11)19-5)17-14(18)13(16)15(2,3)4;/h7-9,13H,6,16H2,1-5H3,(H,17,18);1H/t13-;/m1./s1.
What are the key properties of (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119688392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).