N-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide

C13H20N4O3 — CID 103113883

IUPACN-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide
SMILESCCN(C)C(=O)C(C)Nc1cccc(NC)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-5-16(4)13(18)9(2)15-11-8-6-7-10(14-3)12(11)17(19)20/h6-9,14-15H,5H2,1-4H3
InChIKeyBNXYPZZVLZRGSW-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.92
Rot. Bonds6

About N-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide

N-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide (PubChem CID 103113883) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide
PubChem CID103113883
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide
SMILESCCN(C)C(=O)C(C)Nc1cccc(NC)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-5-16(4)13(18)9(2)15-11-8-6-7-10(14-3)12(11)17(19)20/h6-9,14-15H,5H2,1-4H3
InChIKeyBNXYPZZVLZRGSW-UHFFFAOYSA-N
XLogP1.92
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.92
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-[3-(methylamino)-2-nitroanilino]-N-propylpropanamide
CID 80800878
3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80783851
1-N-methyl-3-N-(3-methylpentan-2-yl)-2-nitrobenzene-1,3-diamine
CID 80802971
2-[3-(methylamino)-2-nitroanilino]propane-1,3-diol
CID 80842073
3-methyl-2-[3-(methylamino)-2-nitroanilino]butan-1-ol
CID 80848426
2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide
CID 103106754
1-N-methyl-3-N-(5-methylhexan-2-yl)-2-nitrobenzene-1,3-diamine
CID 80839098
N-(1-hydroxypropan-2-yl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 104554331
3-N-ethyl-1-N,3-N-dimethyl-2-nitrobenzene-1,3-diamine
CID 80774350
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-nitrobenzamide
CID 103111493
N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide
CID 80783693
2-[N-ethyl-3-(methylamino)-2-nitroanilino]-N-methylacetamide
CID 80809375

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide (CID 103113883) is N-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide is CCN(C)C(=O)C(C)Nc1cccc(NC)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide?
The InChIKey is BNXYPZZVLZRGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-5-16(4)13(18)9(2)15-11-8-6-7-10(14-3)12(11)17(19)20/h6-9,14-15H,5H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide?
N-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide has a molecular weight of 280.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[3-(methylamino)-2-nitroanilino]propanamide is sourced from PubChem (CID 103113883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).