6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide

C14H21N3O3 — CID 115912617

IUPAC6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CCC(C)CCN)c1
InChIInChI=1S/C14H21N3O3/c1-10(7-8-15)4-6-14(18)16-12-9-11(2)3-5-13(12)17(19)20/h3,5,9-10H,4,6-8,15H2,1-2H3,(H,16,18)
InChIKeyUMUWIECUNBPAIM-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.61
Rot. Bonds7

About 6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide

6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide (PubChem CID 115912617) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide.

Molecular Properties

Compound Name6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide
PubChem CID115912617
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CCC(C)CCN)c1
InChIInChI=1S/C14H21N3O3/c1-10(7-8-15)4-6-14(18)16-12-9-11(2)3-5-13(12)17(19)20/h3,5,9-10H,4,6-8,15H2,1-2H3,(H,16,18)
InChIKeyUMUWIECUNBPAIM-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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

4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
CID 112557775
3-(5-methyl-2-nitroanilino)-3-oxopropanoic acid
CID 112557865
2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide
CID 112557772
5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide
CID 104757782
2-(aminomethyl)-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
CID 115912619
7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
CID 43708379
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
2-amino-N-(5-methyl-2-nitrophenyl)butanamide
CID 112557726
5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide
CID 82012712
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
2-(aminomethyl)-2-ethyl-N-(5-methyl-2-nitrophenyl)butanamide
CID 115912622
5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
CID 82011572

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide?
The IUPAC name of 6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide (CID 115912617) is 6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide.
What is the SMILES notation for 6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide?
The canonical SMILES for 6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide is Cc1ccc([N+](=O)[O-])c(NC(=O)CCC(C)CCN)c1.
What is the InChIKey of 6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide?
The InChIKey is UMUWIECUNBPAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(7-8-15)4-6-14(18)16-12-9-11(2)3-5-13(12)17(19)20/h3,5,9-10H,4,6-8,15H2,1-2H3,(H,16,18).
What are the key properties of 6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide?
6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide has a molecular weight of 279.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide is sourced from PubChem (CID 115912617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).