3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride

C17H30Cl3N3O — CID 120502499

IUPAC3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C(C)C(C)N)c1ccccc1Cl.Cl.Cl
InChIInChI=1S/C17H28ClN3O.2ClH/c1-5-21(6-2)16(14-9-7-8-10-15(14)18)11-20-17(22)12(3)13(4)19;;/h7-10,12-13,16H,5-6,11,19H2,1-4H3,(H,20,22);2*1H
InChIKeyNGLIUAMTNANHIF-UHFFFAOYSA-N
MW398.81 g/mol
LogP3.67
Rot. Bonds8

About 3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride

3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride (PubChem CID 120502499) has the molecular formula C17H30Cl3N3O and a molecular weight of 398.81 g/mol. Its IUPAC name is 3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride
PubChem CID120502499
Molecular FormulaC17H30Cl3N3O
Molecular Weight398.81 g/mol
Exact Mass397.15
IUPAC Name3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C(C)C(C)N)c1ccccc1Cl.Cl.Cl
InChIInChI=1S/C17H28ClN3O.2ClH/c1-5-21(6-2)16(14-9-7-8-10-15(14)18)11-20-17(22)12(3)13(4)19;;/h7-10,12-13,16H,5-6,11,19H2,1-4H3,(H,20,22);2*1H
InChIKeyNGLIUAMTNANHIF-UHFFFAOYSA-N
XLogP3.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride (CID 120502499) is 3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride is CCN(CC)C(CNC(=O)C(C)C(C)N)c1ccccc1Cl.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride?
The InChIKey is NGLIUAMTNANHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O.2ClH/c1-5-21(6-2)16(14-9-7-8-10-15(14)18)11-20-17(22)12(3)13(4)19;;/h7-10,12-13,16H,5-6,11,19H2,1-4H3,(H,20,22);2*1H.
What are the key properties of 3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride has a molecular weight of 398.81 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120502499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).