2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride

C17H31Cl2N3O2 — CID 120597356

IUPAC2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride
SMILESCCOC(CCN(C)C)CNC(=O)C(C)(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H29N3O2.2ClH/c1-5-22-15(11-12-20(3)4)13-19-16(21)17(2,18)14-9-7-6-8-10-14;;/h6-10,15H,5,11-13,18H2,1-4H3,(H,19,21);2*1H
InChIKeyHWQHLCRQPCIJKE-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.18
Rot. Bonds9

About 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride

2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride (PubChem CID 120597356) has the molecular formula C17H31Cl2N3O2 and a molecular weight of 380.36 g/mol. Its IUPAC name is 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride
PubChem CID120597356
Molecular FormulaC17H31Cl2N3O2
Molecular Weight380.36 g/mol
Exact Mass379.18
IUPAC Name2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride
SMILESCCOC(CCN(C)C)CNC(=O)C(C)(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H29N3O2.2ClH/c1-5-22-15(11-12-20(3)4)13-19-16(21)17(2,18)14-9-7-6-8-10-14;;/h6-10,15H,5,11-13,18H2,1-4H3,(H,19,21);2*1H
InChIKeyHWQHLCRQPCIJKE-UHFFFAOYSA-N
XLogP2.18
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylpropanamide
CID 62488600
2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
CID 65224591
2-amino-N-(2,2-difluoroethyl)-2-phenylpropanamide
CID 115406878
2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride
CID 120595114
2-amino-N-[2-(3-fluorophenoxy)butyl]-2-phenylpropanamide
CID 120593918
2-amino-N-(2-methoxy-3-methylbutyl)-2-phenylpropanamide;hydrochloride
CID 120593921
2-amino-N-(2-phenoxypropyl)-2-phenylpropanamide
CID 120589356
2-amino-N-(3-methyl-2-phenylbutyl)-2-phenylpropanamide;hydrochloride
CID 120589227
2-amino-N-[2-[ethyl(propyl)amino]ethyl]-2-phenylpropanamide;dihydrochloride
CID 120597323
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride
CID 120595403
2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide
CID 120594854
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide
CID 120595902

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride (CID 120597356) is 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride is CCOC(CCN(C)C)CNC(=O)C(C)(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is HWQHLCRQPCIJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.2ClH/c1-5-22-15(11-12-20(3)4)13-19-16(21)17(2,18)14-9-7-6-8-10-14;;/h6-10,15H,5,11-13,18H2,1-4H3,(H,19,21);2*1H.
What are the key properties of 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride?
2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 380.36 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120597356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).