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

C14H21N3O3 — CID 81484734

IUPACN-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide
SMILESCCC(N)(CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H21N3O3/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)
InChIKeyYTXONCCGVHNBAF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.77
Rot. Bonds7

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

N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide (PubChem CID 81484734) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide
PubChem CID81484734
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide
SMILESCCC(N)(CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H21N3O3/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)
InChIKeyYTXONCCGVHNBAF-UHFFFAOYSA-N
XLogP1.77
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.77
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;hydrochloride
CID 119642438
N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride
CID 119641734
N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
CID 122080857
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 119261247
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-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 119641229
N-(2-amino-2-ethylbutyl)-2-chloro-4-nitrobenzamide;hydrochloride
CID 119640742
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethylphenyl)acetamide
CID 81484732
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 83058575
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?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide (CID 81484734) is N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide is CCC(N)(CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is YTXONCCGVHNBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/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).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide?
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.77, 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 is sourced from PubChem (CID 81484734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).