2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide

C13H21N5O3 — CID 115937146

IUPAC2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
SMILESCC(C)N(C)CCNC(=O)c1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C13H21N5O3/c1-9(2)17(3)8-7-15-13(19)10-5-4-6-11(18(20)21)12(10)16-14/h4-6,9,16H,7-8,14H2,1-3H3,(H,15,19)
InChIKeyWADXKXCMXFHQQY-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.95
Rot. Bonds7

About 2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide

2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide (PubChem CID 115937146) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
PubChem CID115937146
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
SMILESCC(C)N(C)CCNC(=O)c1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C13H21N5O3/c1-9(2)17(3)8-7-15-13(19)10-5-4-6-11(18(20)21)12(10)16-14/h4-6,9,16H,7-8,14H2,1-3H3,(H,15,19)
InChIKeyWADXKXCMXFHQQY-UHFFFAOYSA-N
XLogP0.95
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.95
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

N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
N-[2-(dimethylamino)ethyl]-2-(methylamino)-3-nitrobenzamide
CID 112580559
N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide
CID 115937099
2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115937161
N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide
CID 112580705
3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106040313
4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 62640596
2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide
CID 115936998
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N-methyl-3-nitrobenzamide
CID 115937177
2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 115937147
3-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-2-nitrobenzamide
CID 106050162
N-[2-(dimethylamino)ethyl]-2-nitrobenzamide
CID 15287848

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide?
The IUPAC name of 2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide (CID 115937146) is 2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide.
What is the SMILES notation for 2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide?
The canonical SMILES for 2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide is CC(C)N(C)CCNC(=O)c1cccc([N+](=O)[O-])c1NN.
What is the InChIKey of 2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide?
The InChIKey is WADXKXCMXFHQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9(2)17(3)8-7-15-13(19)10-5-4-6-11(18(20)21)12(10)16-14/h4-6,9,16H,7-8,14H2,1-3H3,(H,15,19).
What are the key properties of 2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide?
2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide has a molecular weight of 295.34 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide is sourced from PubChem (CID 115937146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).