2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide

C13H19N3O4 — CID 62472666

IUPAC2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide
SMILESCCc1ccc(NC(=O)C(N)CCOC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-3-9-4-5-10(8-12(9)16(18)19)15-13(17)11(14)6-7-20-2/h4-5,8,11H,3,6-7,14H2,1-2H3,(H,15,17)
InChIKeyYZBWFIRUYRPEIQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.46
Rot. Bonds7

About 2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide

2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide (PubChem CID 62472666) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide
PubChem CID62472666
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide
SMILESCCc1ccc(NC(=O)C(N)CCOC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-3-9-4-5-10(8-12(9)16(18)19)15-13(17)11(14)6-7-20-2/h4-5,8,11H,3,6-7,14H2,1-2H3,(H,15,17)
InChIKeyYZBWFIRUYRPEIQ-UHFFFAOYSA-N
XLogP1.46
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-ethyl-3-nitrophenyl)hexanamide
CID 60854572
2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
CID 43713228
2-amino-N-(4-chloro-3-nitrophenyl)-5-methoxypentanamide
CID 81082778
(2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide
CID 103928945
2-amino-N-(3-bromo-4-nitrophenyl)-5-methoxypentanamide
CID 82864395
2-amino-N-(3-bromo-4-nitrophenyl)-3-methoxypropanamide
CID 82864686
N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide
CID 86995402
N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196522
2-amino-N-(4-methyl-3-nitrophenyl)-4-methylsulfonylbutanamide
CID 43101338
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
CID 63334647
2-amino-N-(4-methyl-3-nitrophenyl)butanamide
CID 43649478

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide (CID 62472666) is 2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide is CCc1ccc(NC(=O)C(N)CCOC)cc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide?
The InChIKey is YZBWFIRUYRPEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-9-4-5-10(8-12(9)16(18)19)15-13(17)11(14)6-7-20-2/h4-5,8,11H,3,6-7,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide?
2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide has a molecular weight of 281.31 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide is sourced from PubChem (CID 62472666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).