2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide

C12H18N4O3 — CID 103106754

IUPAC2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C12H18N4O3/c1-4-15(3)12(17)8(2)14-11-6-5-9(16(18)19)7-10(11)13/h5-8,14H,4,13H2,1-3H3
InChIKeyQWORDFVAGUYIJJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.46
Rot. Bonds5

About 2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide

2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide (PubChem CID 103106754) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide
PubChem CID103106754
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C12H18N4O3/c1-4-15(3)12(17)8(2)14-11-6-5-9(16(18)19)7-10(11)13/h5-8,14H,4,13H2,1-3H3
InChIKeyQWORDFVAGUYIJJ-UHFFFAOYSA-N
XLogP1.46
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
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-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide
CID 103106779
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-nitrobenzamide
CID 103111493
N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide
CID 103111708
1-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-nitrobenzene-1,2-diamine
CID 62508623
N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide
CID 103111339
2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide
CID 66095124
N-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide
CID 103113883
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-iodo-5-nitrobenzamide
CID 103108322
3-(2-amino-4-nitroanilino)-4-methylpentan-1-ol
CID 106348145
2-[2-(difluoromethyl)-4-nitroanilino]-N,N-dimethylpropanamide
CID 63735288
2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide
CID 103106654

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide (CID 103106754) is 2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1ccc([N+](=O)[O-])cc1N.
What is the InChIKey of 2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide?
The InChIKey is QWORDFVAGUYIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-4-15(3)12(17)8(2)14-11-6-5-9(16(18)19)7-10(11)13/h5-8,14H,4,13H2,1-3H3.
What are the key properties of 2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide?
2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide has a molecular weight of 266.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103106754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).