N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide

C13H19N3O3 — CID 103111339

IUPACN-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide
SMILESCCN(C)C(=O)C(C)Nc1cc(C)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-5-15(4)13(17)10(3)14-11-6-9(2)7-12(8-11)16(18)19/h6-8,10,14H,5H2,1-4H3
InChIKeyVQJGJCCQJQLRRD-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.18
Rot. Bonds5

About N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide

N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide (PubChem CID 103111339) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide
PubChem CID103111339
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide
SMILESCCN(C)C(=O)C(C)Nc1cc(C)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-5-15(4)13(17)10(3)14-11-6-9(2)7-12(8-11)16(18)19/h6-8,10,14H,5H2,1-4H3
InChIKeyVQJGJCCQJQLRRD-UHFFFAOYSA-N
XLogP2.18
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl 2-(3-methyl-5-nitroanilino)propanoate
CID 112649121
2-[3-(ethylamino)-5-nitroanilino]-N,N-dimethylpropanamide
CID 80803534
N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide
CID 103111708
2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide
CID 103106754
2-(3,5-dimethylanilino)-N,N-diethylpropanamide
CID 43113083
3-methyl-2-(3-methyl-5-nitroanilino)butanamide
CID 106345871
N-(1-ethylsulfanylpropan-2-yl)-3-methyl-5-nitroaniline
CID 113499138
2-(3-methyl-5-nitroanilino)pent-4-ynoic acid
CID 112648679
2-(3-methyl-5-nitroanilino)pent-4-enoic acid
CID 112648680
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-iodo-5-nitrobenzamide
CID 103108322
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-nitrobenzamide
CID 103111493
methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate
CID 103113350

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide?
The IUPAC name of N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide (CID 103111339) is N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide is CCN(C)C(=O)C(C)Nc1cc(C)cc([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide?
The InChIKey is VQJGJCCQJQLRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-5-15(4)13(17)10(3)14-11-6-9(2)7-12(8-11)16(18)19/h6-8,10,14H,5H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide?
N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide has a molecular weight of 265.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide is sourced from PubChem (CID 103111339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).