N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide

C13H19N3O3 — CID 65192594

IUPACN-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide
SMILESCC(C)C(CN)NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-9(2)11(8-14)15-13(17)7-10-5-3-4-6-12(10)16(18)19/h3-6,9,11H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyZQHMMLLXTSMIEO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.24
Rot. Bonds6

About N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide

N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide (PubChem CID 65192594) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide
PubChem CID65192594
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide
SMILESCC(C)C(CN)NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-9(2)11(8-14)15-13(17)7-10-5-3-4-6-12(10)16(18)19/h3-6,9,11H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyZQHMMLLXTSMIEO-UHFFFAOYSA-N
XLogP1.24
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.24
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-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide
CID 65191595
2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 874422
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922
4-methyl-3-[(2-nitrophenyl)methylamino]pentanoic acid
CID 3271868
2-(aminomethyl)-3-methyl-N-[(2-nitrophenyl)methyl]butanamide
CID 65227998
2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 51157947
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2-nitrophenyl)acetate
CID 7832920
2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060695
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide
CID 42997256
N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide
CID 96550277

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide (CID 65192594) is N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide is CC(C)C(CN)NC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide?
The InChIKey is ZQHMMLLXTSMIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)11(8-14)15-13(17)7-10-5-3-4-6-12(10)16(18)19/h3-6,9,11H,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide?
N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 65192594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).