N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride

C14H22ClN3O3 — CID 119642438

IUPACN-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-3-14(15,4-2)10-16-13(18)9-11-5-7-12(8-6-11)17(19)20;/h5-8H,3-4,9-10,15H2,1-2H3,(H,16,18);1H
InChIKeyZLIWKVDWETTWJI-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.19
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride (PubChem CID 119642438) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride
PubChem CID119642438
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-3-14(15,4-2)10-16-13(18)9-11-5-7-12(8-6-11)17(19)20;/h5-8H,3-4,9-10,15H2,1-2H3,(H,16,18);1H
InChIKeyZLIWKVDWETTWJI-UHFFFAOYSA-N
XLogP2.19
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.19
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-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide
CID 81484734
N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride
CID 119641734
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 119261247
N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
CID 122080857
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
CID 81484294
N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 119643273
N-(2-amino-2-ethylbutyl)-2-chloro-4-nitrobenzamide;hydrochloride
CID 119640742
N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 119641229
N-(2-amino-2-ethylbutyl)-1-(4-nitrophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119642145
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethylphenyl)acetamide
CID 81484732
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 62657388

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride (CID 119642438) is N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride is CCC(N)(CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride?
The InChIKey is ZLIWKVDWETTWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-3-14(15,4-2)10-16-13(18)9-11-5-7-12(8-6-11)17(19)20;/h5-8H,3-4,9-10,15H2,1-2H3,(H,16,18);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119642438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).