2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide

C13H19N3O4 — CID 79809415

IUPAC2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide
SMILESCCC(N)(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C13H19N3O4/c1-4-13(14,5-2)12(17)15-10-8-9(16(18)19)6-7-11(10)20-3/h6-8H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyPSODWGPEKNGOHM-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.06
Rot. Bonds6

About 2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide

2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide (PubChem CID 79809415) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide
PubChem CID79809415
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide
SMILESCCC(N)(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C13H19N3O4/c1-4-13(14,5-2)12(17)15-10-8-9(16(18)19)6-7-11(10)20-3/h6-8H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyPSODWGPEKNGOHM-UHFFFAOYSA-N
XLogP2.06
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.06
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-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 107744593
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
2,2,2-trifluoroethyl N-(2-methoxy-5-nitrophenyl)carbamate
CID 39871460
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] propanoate
CID 2087469
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
N-(2-methoxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949950
N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108530617
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17359381
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782632
2-amino-N-(2-methoxy-5-nitrophenyl)-4-methylpentanamide
CID 43426915
2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 79464169
7-amino-N-(2-methoxy-5-nitrophenyl)heptanamide
CID 43426912

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide?
The IUPAC name of 2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide (CID 79809415) is 2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide is CCC(N)(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide?
The InChIKey is PSODWGPEKNGOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-13(14,5-2)12(17)15-10-8-9(16(18)19)6-7-11(10)20-3/h6-8H,4-5,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide?
2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide has a molecular weight of 281.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide is sourced from PubChem (CID 79809415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).