2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide

C13H19N3O3 — CID 112557773

IUPAC2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-4-7-13(3,14)12(17)15-10-8-9(2)5-6-11(10)16(18)19/h5-6,8H,4,7,14H2,1-3H3,(H,15,17)
InChIKeyAMFCLKXLAVXCFB-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.36
Rot. Bonds5

About 2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide

2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide (PubChem CID 112557773) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
PubChem CID112557773
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-4-7-13(3,14)12(17)15-10-8-9(2)5-6-11(10)16(18)19/h5-6,8H,4,7,14H2,1-3H3,(H,15,17)
InChIKeyAMFCLKXLAVXCFB-UHFFFAOYSA-N
XLogP2.36
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.36
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

2-amino-N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82757643
4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
CID 112557775
2-(aminomethyl)-2-ethyl-N-(5-methyl-2-nitrophenyl)butanamide
CID 115912622
2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide
CID 60848957
2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide
CID 60846513
2-amino-N-(5-methyl-2-nitrophenyl)butanamide
CID 112557726
1-butyl-3-(5-methyl-2-nitrophenyl)urea
CID 116657565
3-(5-methyl-2-nitroanilino)-3-oxopropanoic acid
CID 112557865
2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide
CID 112557772
2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide
CID 79797135
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 60846841

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide?
The IUPAC name of 2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide (CID 112557773) is 2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide is CCCC(C)(N)C(=O)Nc1cc(C)ccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide?
The InChIKey is AMFCLKXLAVXCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-7-13(3,14)12(17)15-10-8-9(2)5-6-11(10)16(18)19/h5-6,8H,4,7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide?
2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide has a molecular weight of 265.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide is sourced from PubChem (CID 112557773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).