(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride

C19H35Cl2N3O3 — CID 119865034

IUPAC(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
SMILESCCN(CC)CCOc1cc(NC(=O)[C@@H](N)C(C)(C)C)ccc1OC.Cl.Cl
InChIInChI=1S/C19H33N3O3.2ClH/c1-7-22(8-2)11-12-25-16-13-14(9-10-15(16)24-6)21-18(23)17(20)19(3,4)5;;/h9-10,13,17H,7-8,11-12,20H2,1-6H3,(H,21,23);2*1H/t17-;;/m1../s1
InChIKeyWPOHXXPTNOSKKG-ZEECNFPPSA-N
MW424.41 g/mol
LogP3.57
Rot. Bonds9

About (2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride

(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride (PubChem CID 119865034) has the molecular formula C19H35Cl2N3O3 and a molecular weight of 424.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
PubChem CID119865034
Molecular FormulaC19H35Cl2N3O3
Molecular Weight424.41 g/mol
Exact Mass423.21
IUPAC Name(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
SMILESCCN(CC)CCOc1cc(NC(=O)[C@@H](N)C(C)(C)C)ccc1OC.Cl.Cl
InChIInChI=1S/C19H33N3O3.2ClH/c1-7-22(8-2)11-12-25-16-13-14(9-10-15(16)24-6)21-18(23)17(20)19(3,4)5;;/h9-10,13,17H,7-8,11-12,20H2,1-6H3,(H,21,23);2*1H/t17-;;/m1../s1
InChIKeyWPOHXXPTNOSKKG-ZEECNFPPSA-N
XLogP3.57
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
CID 119841222
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119688392
(2S)-2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119717616
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(methylamino)acetamide
CID 119865025
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride
CID 119865014
1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
CID 60612121
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide
CID 119865015
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119286185
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]thiophene-2-carboxamide
CID 22459278

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride (CID 119865034) is (2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride is CCN(CC)CCOc1cc(NC(=O)[C@@H](N)C(C)(C)C)ccc1OC.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride?
The InChIKey is WPOHXXPTNOSKKG-ZEECNFPPSA-N. The full InChI is InChI=1S/C19H33N3O3.2ClH/c1-7-22(8-2)11-12-25-16-13-14(9-10-15(16)24-6)21-18(23)17(20)19(3,4)5;;/h9-10,13,17H,7-8,11-12,20H2,1-6H3,(H,21,23);2*1H/t17-;;/m1../s1.
What are the key properties of (2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride?
(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride has a molecular weight of 424.41 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride is sourced from PubChem (CID 119865034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).