2-(2-amino-4-nitroanilino)-N-ethylpropanamide

C11H16N4O3 — CID 62508456

IUPAC2-(2-amino-4-nitroanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C11H16N4O3/c1-3-13-11(16)7(2)14-10-5-4-8(15(17)18)6-9(10)12/h4-7,14H,3,12H2,1-2H3,(H,13,16)
InChIKeyVVZYBNGTPIZUPZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.11
Rot. Bonds5

About 2-(2-amino-4-nitroanilino)-N-ethylpropanamide

2-(2-amino-4-nitroanilino)-N-ethylpropanamide (PubChem CID 62508456) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(2-amino-4-nitroanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-nitroanilino)-N-ethylpropanamide
PubChem CID62508456
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-(2-amino-4-nitroanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C11H16N4O3/c1-3-13-11(16)7(2)14-10-5-4-8(15(17)18)6-9(10)12/h4-7,14H,3,12H2,1-2H3,(H,13,16)
InChIKeyVVZYBNGTPIZUPZ-UHFFFAOYSA-N
XLogP1.11
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(2-methyl-5-nitroanilino)propanamide
CID 55023374
2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide
CID 103106754
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide
CID 61476320
2-(3-amino-2-nitroanilino)-N-ethylpropanamide
CID 80801017
N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide
CID 142478299
2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide
CID 115573864
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)-5-nitrobenzamide
CID 60661259
3-(2-amino-4-nitroanilino)-4-methylpentan-1-ol
CID 106348145
2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide
CID 82907245
2-amino-N-ethyl-4-nitrobenzamide
CID 71534016
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 63356519

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-nitroanilino)-N-ethylpropanamide?
The IUPAC name of 2-(2-amino-4-nitroanilino)-N-ethylpropanamide (CID 62508456) is 2-(2-amino-4-nitroanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(2-amino-4-nitroanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(2-amino-4-nitroanilino)-N-ethylpropanamide is CCNC(=O)C(C)Nc1ccc([N+](=O)[O-])cc1N.
What is the InChIKey of 2-(2-amino-4-nitroanilino)-N-ethylpropanamide?
The InChIKey is VVZYBNGTPIZUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-3-13-11(16)7(2)14-10-5-4-8(15(17)18)6-9(10)12/h4-7,14H,3,12H2,1-2H3,(H,13,16).
What are the key properties of 2-(2-amino-4-nitroanilino)-N-ethylpropanamide?
2-(2-amino-4-nitroanilino)-N-ethylpropanamide has a molecular weight of 252.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-nitroanilino)-N-ethylpropanamide is sourced from PubChem (CID 62508456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).