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

C13H19N3O3 — CID 82011572

IUPAC5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CCC(C)CN
InChIInChI=1S/C13H19N3O3/c1-9(8-14)3-6-13(17)15-12-5-4-11(16(18)19)7-10(12)2/h4-5,7,9H,3,6,8,14H2,1-2H3,(H,15,17)
InChIKeyZDEWWBNYYAMSEK-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.22
Rot. Bonds6

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

5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide (PubChem CID 82011572) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
PubChem CID82011572
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CCC(C)CN
InChIInChI=1S/C13H19N3O3/c1-9(8-14)3-6-13(17)15-12-5-4-11(16(18)19)7-10(12)2/h4-5,7,9H,3,6,8,14H2,1-2H3,(H,15,17)
InChIKeyZDEWWBNYYAMSEK-UHFFFAOYSA-N
XLogP2.22
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.22
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

3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide
CID 104757782
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
methyl 4-(2-methyl-4-nitroanilino)-4-oxobutanoate
CID 2844064
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
2-(2-aminoethylsulfanyl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 134064971
4-amino-N-(2-cyano-4-nitrophenyl)-3-methylbutanamide
CID 81075952
(2R)-2-amino-3-methyl-N-(2-methyl-4-nitrophenyl)butanamide
CID 79011732
(2S)-2-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
CID 61178947
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
1-(2-methyl-4-nitrophenyl)-3-propan-2-ylurea
CID 113222207
3-[4-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 111113845

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide?
The IUPAC name of 5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide (CID 82011572) is 5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(C)CN.
What is the InChIKey of 5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide?
The InChIKey is ZDEWWBNYYAMSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(8-14)3-6-13(17)15-12-5-4-11(16(18)19)7-10(12)2/h4-5,7,9H,3,6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide?
5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide has a molecular weight of 265.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide is sourced from PubChem (CID 82011572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).