4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide

C13H19N3O3 — CID 112557775

IUPAC4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CCC(C)(C)N)c1
InChIInChI=1S/C13H19N3O3/c1-9-4-5-11(16(18)19)10(8-9)15-12(17)6-7-13(2,3)14/h4-5,8H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyVUJOYPFUTRVVRY-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.36
Rot. Bonds5

About 4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide

4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide (PubChem CID 112557775) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide.

Molecular Properties

Compound Name4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
PubChem CID112557775
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CCC(C)(C)N)c1
InChIInChI=1S/C13H19N3O3/c1-9-4-5-11(16(18)19)10(8-9)15-12(17)6-7-13(2,3)14/h4-5,8H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyVUJOYPFUTRVVRY-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-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
CID 112557773
3-(5-methyl-2-nitroanilino)-3-oxopropanoic acid
CID 112557865
2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide
CID 112557772
6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide
CID 115912617
2-(aminomethyl)-2-ethyl-N-(5-methyl-2-nitrophenyl)butanamide
CID 115912622
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(5-methyl-2-nitrophenyl)cyclohexane-1-carboxamide
CID 88600402
2-amino-N-(5-methyl-2-nitrophenyl)butanamide
CID 112557726
N-(2-bromo-4-methylphenyl)-3-(2-nitroanilino)propanamide
CID 16797523
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
CID 43708379
methyl 2-(5-methyl-2-nitroanilino)acetate
CID 58926520

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide?
The IUPAC name of 4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide (CID 112557775) is 4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide.
What is the SMILES notation for 4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide?
The canonical SMILES for 4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide is Cc1ccc([N+](=O)[O-])c(NC(=O)CCC(C)(C)N)c1.
What is the InChIKey of 4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide?
The InChIKey is VUJOYPFUTRVVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-4-5-11(16(18)19)10(8-9)15-12(17)6-7-13(2,3)14/h4-5,8H,6-7,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide?
4-amino-4-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 4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide is sourced from PubChem (CID 112557775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).