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

C12H17N3O3 — CID 43713228

IUPAC2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
SMILESCCc1ccc(NC(=O)C(N)CC)cc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-3-8-5-6-9(7-11(8)15(17)18)14-12(16)10(13)4-2/h5-7,10H,3-4,13H2,1-2H3,(H,14,16)
InChIKeyRDKYYDUXLGLNLV-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.83
Rot. Bonds5

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

2-amino-N-(4-ethyl-3-nitrophenyl)butanamide (PubChem CID 43713228) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-N-(4-ethyl-3-nitrophenyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
PubChem CID43713228
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
SMILESCCc1ccc(NC(=O)C(N)CC)cc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-3-8-5-6-9(7-11(8)15(17)18)14-12(16)10(13)4-2/h5-7,10H,3-4,13H2,1-2H3,(H,14,16)
InChIKeyRDKYYDUXLGLNLV-UHFFFAOYSA-N
XLogP1.83
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.83
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-N-(4-ethyl-3-nitrophenyl)hexanamide
CID 60854572
2-amino-N-(4-methyl-3-nitrophenyl)butanamide
CID 43649478
2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide
CID 62472666
(2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide
CID 103928945
N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196522
2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide
CID 86925247
2-amino-N-(4-methyl-3-nitrophenyl)-4-methylsulfonylbutanamide
CID 43101338
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
(2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide
CID 119307334
N-[1-(4-ethyl-3-nitroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 86925253
2-amino-N-(5-methyl-2-nitrophenyl)butanamide
CID 112557726
N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
CID 79204865

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethyl-3-nitrophenyl)butanamide?
The IUPAC name of 2-amino-N-(4-ethyl-3-nitrophenyl)butanamide (CID 43713228) is 2-amino-N-(4-ethyl-3-nitrophenyl)butanamide.
What is the SMILES notation for 2-amino-N-(4-ethyl-3-nitrophenyl)butanamide?
The canonical SMILES for 2-amino-N-(4-ethyl-3-nitrophenyl)butanamide is CCc1ccc(NC(=O)C(N)CC)cc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(4-ethyl-3-nitrophenyl)butanamide?
The InChIKey is RDKYYDUXLGLNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-8-5-6-9(7-11(8)15(17)18)14-12(16)10(13)4-2/h5-7,10H,3-4,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-(4-ethyl-3-nitrophenyl)butanamide?
2-amino-N-(4-ethyl-3-nitrophenyl)butanamide has a molecular weight of 251.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethyl-3-nitrophenyl)butanamide is sourced from PubChem (CID 43713228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).