2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride

C16H25Cl3N2O2 — CID 120989046

IUPAC2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride
SMILESCCC(CC)(CNC(=O)C(N)COC)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C16H24Cl2N2O2.ClH/c1-4-16(5-2,10-20-15(21)14(19)9-22-3)11-6-7-12(17)13(18)8-11;/h6-8,14H,4-5,9-10,19H2,1-3H3,(H,20,21);1H
InChIKeyJSNNGYNJTGKVCT-UHFFFAOYSA-N
MW383.75 g/mol
LogP3.56
Rot. Bonds8

About 2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120989046) has the molecular formula C16H25Cl3N2O2 and a molecular weight of 383.75 g/mol. Its IUPAC name is 2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride
PubChem CID120989046
Molecular FormulaC16H25Cl3N2O2
Molecular Weight383.75 g/mol
Exact Mass382.10
IUPAC Name2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride
SMILESCCC(CC)(CNC(=O)C(N)COC)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C16H24Cl2N2O2.ClH/c1-4-16(5-2,10-20-15(21)14(19)9-22-3)11-6-7-12(17)13(18)8-11;/h6-8,14H,4-5,9-10,19H2,1-3H3,(H,20,21);1H
InChIKeyJSNNGYNJTGKVCT-UHFFFAOYSA-N
XLogP3.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.75
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide;hydrochloride
CID 119318826
(2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide
CID 119318819
4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide
CID 120591750
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methoxypropanamide;hydrochloride
CID 120986999
N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride
CID 119318824
2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-methoxypropanamide
CID 115360310
N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine
CID 63510234
2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120991102
2-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxypropanamide
CID 81101223
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-methoxypropanamide
CID 120987990
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120988537
2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120990280

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride (CID 120989046) is 2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride is CCC(CC)(CNC(=O)C(N)COC)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is JSNNGYNJTGKVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O2.ClH/c1-4-16(5-2,10-20-15(21)14(19)9-22-3)11-6-7-12(17)13(18)8-11;/h6-8,14H,4-5,9-10,19H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 383.75 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120989046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).