(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride

C15H27Cl2N3O — CID 119831113

IUPAC(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride
SMILESCCc1ccc(C(CNC(=O)[C@@H](C)N)N(C)C)cc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-5-12-6-8-13(9-7-12)14(18(3)4)10-17-15(19)11(2)16;;/h6-9,11,14H,5,10,16H2,1-4H3,(H,17,19);2*1H/t11-,14?;;/m1../s1
InChIKeySHCKZSBPENNKPZ-RXKPZYGLSA-N
MW336.31 g/mol
LogP2.16
Rot. Bonds6

About (2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride

(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride (PubChem CID 119831113) has the molecular formula C15H27Cl2N3O and a molecular weight of 336.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride
PubChem CID119831113
Molecular FormulaC15H27Cl2N3O
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC Name(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride
SMILESCCc1ccc(C(CNC(=O)[C@@H](C)N)N(C)C)cc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-5-12-6-8-13(9-7-12)14(18(3)4)10-17-15(19)11(2)16;;/h6-9,11,14H,5,10,16H2,1-4H3,(H,17,19);2*1H/t11-,14?;;/m1../s1
InChIKeySHCKZSBPENNKPZ-RXKPZYGLSA-N
XLogP2.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460165
2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797001
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709
N-[1-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 112764524
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 24640125
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride
CID 119828732
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea
CID 24528872
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 43045040
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 51864652
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride (CID 119831113) is (2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride is CCc1ccc(C(CNC(=O)[C@@H](C)N)N(C)C)cc1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride?
The InChIKey is SHCKZSBPENNKPZ-RXKPZYGLSA-N. The full InChI is InChI=1S/C15H25N3O.2ClH/c1-5-12-6-8-13(9-7-12)14(18(3)4)10-17-15(19)11(2)16;;/h6-9,11,14H,5,10,16H2,1-4H3,(H,17,19);2*1H/t11-,14?;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride?
(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride has a molecular weight of 336.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119831113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).