2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide

C12H19N5O3 — CID 80897022

IUPAC2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H19N5O3/c1-3-4-14-12(18)8(2)15-9-5-10(16-13)7-11(6-9)17(19)20/h5-8,15-16H,3-4,13H2,1-2H3,(H,14,18)
InChIKeyDEAHOZKFVRHASU-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.21
Rot. Bonds7

About 2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide

2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide (PubChem CID 80897022) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide
PubChem CID80897022
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H19N5O3/c1-3-4-14-12(18)8(2)15-9-5-10(16-13)7-11(6-9)17(19)20/h5-8,15-16H,3-4,13H2,1-2H3,(H,14,18)
InChIKeyDEAHOZKFVRHASU-UHFFFAOYSA-N
XLogP1.21
TPSA122.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide
CID 80783432
3-hydrazinyl-5-nitro-N-propan-2-ylaniline
CID 80932452
3,5-dinitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 14440643
ethyl 2-(3-methyl-5-nitroanilino)propanoate
CID 112649121
2-(3-methyl-4-nitroanilino)-N-propylpropanamide
CID 60969921
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline
CID 80897006
2-(3-cyano-4-nitroanilino)-N-propylpropanamide
CID 115500237
2-(3-amino-5-methylanilino)-N-propylpropanamide
CID 112647452
2-[3-(ethylamino)-5-nitroanilino]-N,N-dimethylpropanamide
CID 80803534
3-methyl-2-[3-nitro-5-(propylamino)anilino]butan-1-ol
CID 80848348
(2R)-2-[(4-nitrophenyl)carbamoylamino]-N-propylpropanamide
CID 39963659

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide?
The IUPAC name of 2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide (CID 80897022) is 2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide?
The canonical SMILES for 2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide?
The InChIKey is DEAHOZKFVRHASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-3-4-14-12(18)8(2)15-9-5-10(16-13)7-11(6-9)17(19)20/h5-8,15-16H,3-4,13H2,1-2H3,(H,14,18).
What are the key properties of 2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide?
2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide has a molecular weight of 281.32 g/mol, XLogP of 1.21, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide is sourced from PubChem (CID 80897022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).