2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide

C13H19N3O3 — CID 79257620

IUPAC2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide
SMILESCc1cc(NC(=O)CNC(C)(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-9-7-10(5-6-11(9)16(18)19)15-12(17)8-14-13(2,3)4/h5-7,14H,8H2,1-4H3,(H,15,17)
InChIKeyKPLIWYDFONTBKT-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.23
Rot. Bonds4

About 2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide

2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide (PubChem CID 79257620) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide
PubChem CID79257620
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide
SMILESCc1cc(NC(=O)CNC(C)(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-9-7-10(5-6-11(9)16(18)19)15-12(17)8-14-13(2,3)4/h5-7,14H,8H2,1-4H3,(H,15,17)
InChIKeyKPLIWYDFONTBKT-UHFFFAOYSA-N
XLogP2.23
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.23
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

1-tert-butyl-3-(3-methyl-4-nitrophenyl)urea
CID 113224570
2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572266
(2S)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)butanamide
CID 58773677
2,2-dimethyl-3-(3-methyl-4-nitroanilino)-3-oxopropanoic acid
CID 82821763
2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide
CID 103828117
2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide
CID 79853601
N-[2-(4-tert-butylanilino)-2-oxoethyl]-3-methyl-4-nitrobenzamide
CID 112768467
3-methyl-3-(3-methyl-4-nitroanilino)butan-1-ol
CID 115886083
2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
CID 104668148
1-(1-hydroxy-3-methylpentan-3-yl)-3-(3-methyl-4-nitrophenyl)urea
CID 91648756
N-(2-chloroprop-2-enyl)-3-methyl-4-nitroaniline
CID 115637284
N,N'-bis(3-methyl-4-nitrophenyl)propane-1,3-diamine
CID 58611252

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide (CID 79257620) is 2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide is Cc1cc(NC(=O)CNC(C)(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide?
The InChIKey is KPLIWYDFONTBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-7-10(5-6-11(9)16(18)19)15-12(17)8-14-13(2,3)4/h5-7,14H,8H2,1-4H3,(H,15,17).
What are the key properties of 2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide?
2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 79257620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).