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

C12H17N3O3 — CID 55023374

IUPACN-ethyl-2-(2-methyl-5-nitroanilino)propanamide
SMILESCCNC(=O)C(C)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C12H17N3O3/c1-4-13-12(16)9(3)14-11-7-10(15(17)18)6-5-8(11)2/h5-7,9,14H,4H2,1-3H3,(H,13,16)
InChIKeyXNUXVJQZLUSIMW-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.84
Rot. Bonds5

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

N-ethyl-2-(2-methyl-5-nitroanilino)propanamide (PubChem CID 55023374) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-ethyl-2-(2-methyl-5-nitroanilino)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methyl-5-nitroanilino)propanamide
PubChem CID55023374
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-ethyl-2-(2-methyl-5-nitroanilino)propanamide
SMILESCCNC(=O)C(C)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C12H17N3O3/c1-4-13-12(16)9(3)14-11-7-10(15(17)18)6-5-8(11)2/h5-7,9,14H,4H2,1-3H3,(H,13,16)
InChIKeyXNUXVJQZLUSIMW-UHFFFAOYSA-N
XLogP1.84
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
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

2-(2-amino-4-nitroanilino)-N-ethylpropanamide
CID 62508456
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide
CID 115573864
N-(2-methoxyethyl)-2-(2-methyl-4-nitroanilino)propanamide
CID 115573862
N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide
CID 142478299
2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide
CID 103828384
2-(5-bromo-2-nitroanilino)-N-ethylpropanamide
CID 65341502
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)-5-nitrobenzamide
CID 60661259
2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide
CID 78783908
N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide
CID 80783432
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-nitrobenzoic acid
CID 82784729
N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide
CID 43400092

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methyl-5-nitroanilino)propanamide?
The IUPAC name of N-ethyl-2-(2-methyl-5-nitroanilino)propanamide (CID 55023374) is N-ethyl-2-(2-methyl-5-nitroanilino)propanamide.
What is the SMILES notation for N-ethyl-2-(2-methyl-5-nitroanilino)propanamide?
The canonical SMILES for N-ethyl-2-(2-methyl-5-nitroanilino)propanamide is CCNC(=O)C(C)Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of N-ethyl-2-(2-methyl-5-nitroanilino)propanamide?
The InChIKey is XNUXVJQZLUSIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-13-12(16)9(3)14-11-7-10(15(17)18)6-5-8(11)2/h5-7,9,14H,4H2,1-3H3,(H,13,16).
What are the key properties of N-ethyl-2-(2-methyl-5-nitroanilino)propanamide?
N-ethyl-2-(2-methyl-5-nitroanilino)propanamide has a molecular weight of 251.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methyl-5-nitroanilino)propanamide is sourced from PubChem (CID 55023374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).