2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide

C13H21N5O3 — CID 107352912

IUPAC2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C13H21N5O3/c1-9(2)6-17(8-12(14)19)7-10-4-3-5-11(18(20)21)13(10)16-15/h3-5,9,16H,6-8,15H2,1-2H3,(H2,14,19)
InChIKeyZYTVZGUBXGFJPL-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.82
Rot. Bonds8

About 2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide

2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide (PubChem CID 107352912) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide
PubChem CID107352912
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C13H21N5O3/c1-9(2)6-17(8-12(14)19)7-10-4-3-5-11(18(20)21)13(10)16-15/h3-5,9,16H,6-8,15H2,1-2H3,(H2,14,19)
InChIKeyZYTVZGUBXGFJPL-UHFFFAOYSA-N
XLogP0.82
TPSA127.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
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

2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]acetamide
CID 107353155
3-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]propanenitrile
CID 107352895
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]-N,N-dimethylacetamide
CID 107352930
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol
CID 107486352
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
2-[[bis(2-methylpropyl)amino]methyl]-6-nitroaniline
CID 107350943
N-ethyl-2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]acetamide
CID 107352926
2-[[2-(ethylamino)-3-nitrophenyl]methyl-methylamino]acetamide
CID 107350837
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107352890
N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine
CID 112752075
2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107352881

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide (CID 107352912) is 2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)Cc1cccc([N+](=O)[O-])c1NN.
What is the InChIKey of 2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide?
The InChIKey is ZYTVZGUBXGFJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9(2)6-17(8-12(14)19)7-10-4-3-5-11(18(20)21)13(10)16-15/h3-5,9,16H,6-8,15H2,1-2H3,(H2,14,19).
What are the key properties of 2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide?
2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide has a molecular weight of 295.34 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 107352912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).