N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride

C12H18ClN3O3 — CID 119628240

IUPACN-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride
SMILESCC(C)(N)CNC(=O)Cc1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-12(2,13)8-14-11(16)7-9-4-3-5-10(6-9)15(17)18;/h3-6H,7-8,13H2,1-2H3,(H,14,16);1H
InChIKeyLCHHWCFDZCCYNH-UHFFFAOYSA-N
MW287.75 g/mol
LogP1.41
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride (PubChem CID 119628240) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride
PubChem CID119628240
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC NameN-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride
SMILESCC(C)(N)CNC(=O)Cc1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-12(2,13)8-14-11(16)7-9-4-3-5-10(6-9)15(17)18;/h3-6H,7-8,13H2,1-2H3,(H,14,16);1H
InChIKeyLCHHWCFDZCCYNH-UHFFFAOYSA-N
XLogP1.41
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-nitrophenyl)acetamide
CID 103772956
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide
CID 103840058
N-[(2-methylpropan-2-yl)oxy]-2-(3-nitrophenyl)acetamide
CID 90891975
2-(3-nitrophenyl)-N-prop-2-ynylacetamide
CID 115649182
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119507081
2-methyl-1-(3-nitrophenyl)propan-2-amine
CID 65015484
3-methyl-2-[[[2-(3-nitrophenyl)acetyl]amino]methyl]butanoic acid
CID 104540991
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide
CID 115878782
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride
CID 119642438
N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide
CID 103820765
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride (CID 119628240) is N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride is CC(C)(N)CNC(=O)Cc1cccc([N+](=O)[O-])c1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride?
The InChIKey is LCHHWCFDZCCYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3.ClH/c1-12(2,13)8-14-11(16)7-9-4-3-5-10(6-9)15(17)18;/h3-6H,7-8,13H2,1-2H3,(H,14,16);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119628240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).