2-(3-amino-2-nitroanilino)-N-ethylpropanamide

C11H16N4O3 — CID 80801017

IUPAC2-(3-amino-2-nitroanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-3-13-11(16)7(2)14-9-6-4-5-8(12)10(9)15(17)18/h4-7,14H,3,12H2,1-2H3,(H,13,16)
InChIKeyUYKBEEAQOWNVQE-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.11
Rot. Bonds5

About 2-(3-amino-2-nitroanilino)-N-ethylpropanamide

2-(3-amino-2-nitroanilino)-N-ethylpropanamide (PubChem CID 80801017) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(3-amino-2-nitroanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(3-amino-2-nitroanilino)-N-ethylpropanamide
PubChem CID80801017
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-(3-amino-2-nitroanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-3-13-11(16)7(2)14-9-6-4-5-8(12)10(9)15(17)18/h4-7,14H,3,12H2,1-2H3,(H,13,16)
InChIKeyUYKBEEAQOWNVQE-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

2-(2-amino-4-nitroanilino)-N-ethylpropanamide
CID 62508456
2-[3-(methylamino)-2-nitroanilino]-N-propylpropanamide
CID 80800878
3-N-(4-methylpentan-2-yl)-2-nitrobenzene-1,3-diamine
CID 80782613
2-(3-cyano-2-nitroanilino)-N-(2-methylpropyl)propanamide
CID 104718038
3-N-(3,3-dimethylbutan-2-yl)-2-nitrobenzene-1,3-diamine
CID 104830497
N-ethyl-2-[(4-nitro-1,3-benzothiazol-5-yl)amino]propanamide
CID 61480152
2-(3-amino-2-nitroanilino)-N-propan-2-ylacetamide
CID 80792422
N-ethyl-2-(2-methyl-5-nitroanilino)propanamide
CID 55023374
3-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-nitrobenzene-1,3-diamine
CID 80800289
2-(5-bromo-2-nitroanilino)-N-ethylpropanamide
CID 65341502
2-(2-cyanoanilino)-N-ethylpropanamide
CID 43086100
2-(3-cyano-2-nitroanilino)-N-methylpropanamide
CID 113444941

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-nitroanilino)-N-ethylpropanamide?
The IUPAC name of 2-(3-amino-2-nitroanilino)-N-ethylpropanamide (CID 80801017) is 2-(3-amino-2-nitroanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(3-amino-2-nitroanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(3-amino-2-nitroanilino)-N-ethylpropanamide is CCNC(=O)C(C)Nc1cccc(N)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-amino-2-nitroanilino)-N-ethylpropanamide?
The InChIKey is UYKBEEAQOWNVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-3-13-11(16)7(2)14-9-6-4-5-8(12)10(9)15(17)18/h4-7,14H,3,12H2,1-2H3,(H,13,16).
What are the key properties of 2-(3-amino-2-nitroanilino)-N-ethylpropanamide?
2-(3-amino-2-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-(3-amino-2-nitroanilino)-N-ethylpropanamide is sourced from PubChem (CID 80801017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).