5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide

C14H21N3O3 — CID 104757782

IUPAC5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCC(C)CN
InChIInChI=1S/C14H21N3O3/c1-9(8-15)4-5-14(18)16-12-7-13(17(19)20)11(3)6-10(12)2/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyGDODHWCZXDCPSA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.53
Rot. Bonds6

About 5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide

5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide (PubChem CID 104757782) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide
PubChem CID104757782
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCC(C)CN
InChIInChI=1S/C14H21N3O3/c1-9(8-15)4-5-14(18)16-12-7-13(17(19)20)11(3)6-10(12)2/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyGDODHWCZXDCPSA-UHFFFAOYSA-N
XLogP2.53
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.53
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

5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide
CID 82012712
3-amino-N-(2,4-dimethyl-5-nitrophenyl)butanamide
CID 113449732
5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
CID 82011572
2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide
CID 104757722
5-bromo-N-(2,4-dimethyl-5-nitrophenyl)pentanamide
CID 103601694
2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 104757812
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572266
5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide
CID 82012097
6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide
CID 115912617
5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide
CID 82011167
2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572270

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide (CID 104757782) is 5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide is Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCC(C)CN.
What is the InChIKey of 5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide?
The InChIKey is GDODHWCZXDCPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(8-15)4-5-14(18)16-12-7-13(17(19)20)11(3)6-10(12)2/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide?
5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide has a molecular weight of 279.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide is sourced from PubChem (CID 104757782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).